#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2008914.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2008914
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1999
_journal_volume 55
_journal_page_first  1533
_journal_page_last  1534
_publ_section_title
;
2-(2,3:5,6-Di-O-isopropylidene-\b-D-mannofuranosyl)-N,N-(pentamethylene)-
ethanethioamide
;
loop_
_publ_author_name
  'Marchand, Patrice'
  'Masson, Serge'
  'Rachinel, Denis'
  'Saint-Clair, Jean-Fran\,cois'
  "Averbuch-Pouchot, Marie-Th\'er\`ese "
_chemical_formula_moiety  'C19 H31 N1 O5 S1'
_chemical_formula_sum            'C19 H31 N O5 S'
_[local]_cod_chemical_formula_sum_orig 'C19 H31 N1 O5 S1'
_chemical_formula_weight  385.52
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P 21 21 21'
loop_
_symmetry_equiv_pos_as_xyz
  '  +x,  +y,  +z'
  '1/2-x,  -y,1/2+z'
  '1/2+x,1/2-y,  -z'
  '  -x,1/2+y,1/2-z'
_cell_length_a  10.713(3)
_cell_length_b  13.569(4)
_cell_length_c  28.270(9)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  4109(2)
_cell_formula_units_Z  8
_cell_measurement_temperature  293
_exptl_crystal_density_diffrn  1.246
_diffrn_ambient_temperature  293
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
_atom_site_refinement_flags
_atom_site_occupancy
  S1 0.23872(6) -0.37349(6) 0.97492(2) 0.0705(2) Uani d ? . 1.000
  S1' 0.25137(6) 0.25083(6) 0.98524(2) 0.0699(2) Uani d ? . 1.000
  O1 -0.04170(10)
  -0.30990(10)
  0.86301(4) 0.0420(4) Uani d ? . 1.000
  O1' 0.54400(10)
  0.19850(10)
  0.87542(5) 0.0423(4) Uani d ? . 1.000
  O2 0.11360(10)
  -0.14200(10)
  0.90470(5) 0.0466(4) Uani d ? . 1.000
  O2' 0.39160(10)
  0.02740(10)
  0.90826(5) 0.0413(4) Uani d ? . 1.000
  O3 -0.07570(10)
  -0.08830(10)
  0.88236(5) 0.0478(4) Uani d ? . 1.000
  O3' 0.58640(10)
  -0.02780(10)
  0.89631(5) 0.0481(4) Uani d ? . 1.000
  O4 -0.29400(10)
  -0.30320(10)
  0.81792(5) 0.0524(4) Uani d ? . 1.000
  O4' 0.79020(10)
  0.19210(10)
  0.82798(5) 0.0502(4) Uani d ? . 1.000
  O5 -0.17660(10)
  -0.25250(10)
  0.75684(5) 0.0599(5) Uani d ? . 1.000
  O5' 0.67190(10)
  0.13610(10)
  0.76807(5) 0.0588(5) Uani d ? . 1.000
  N1 0.3819(2) -0.38630(10)
  0.89876(6) 0.0510(5) Uani d ? . 1.000
  N1' 0.1185(2) 0.27350(10)
  0.90739(5) 0.0420(4) Uani d ? . 1.000
  C1 0.2701(2) -0.3678(2) 0.91731(7) 0.0437(5) Uani d ? . 1.000
  C1' 0.2278(2) 0.2521(2) 0.92677(6) 0.0393(5) Uani d ? . 1.000
  C2 0.1686(2) -0.34060(10)
  0.88232(7) 0.0411(5) Uani d ? . 1.000
  C2' 0.3328(2) 0.22840(10)
  0.89326(6) 0.0386(5) Uani d ? . 1.000
  C3 0.0427(2) -0.31260(10)
  0.90273(7) 0.0392(5) Uani d ? . 1.000
  C3' 0.4568(2) 0.19820(10)
  0.91384(7) 0.0374(5) Uani d ? . 1.000
  C4 0.0297(2) -0.21070(10)
  0.92575(6) 0.0401(5) Uani d ? . 1.000
  C4' 0.4673(2) 0.09420(10)
  0.93434(6) 0.0371(5) Uani d ? . 1.000
  C5 -0.1003(2) -0.1746(2) 0.90990(7) 0.0434(5) Uani d ? . 1.000
  C5' 0.6015(2) 0.06210(10)
  0.92197(7) 0.0388(5) Uani d ? . 1.000
  C6' 0.6507(2) 0.14450(10)
  0.89028(7) 0.0373(5) Uani d ? . 1.000
  C6 -0.1490(2) -0.2567(2) 0.87786(7) 0.0409(5) Uani d ? . 1.000
  C7 -0.2243(2) -0.2217(2) 0.83619(7) 0.0415(5) Uani d ? . 1.000
  C7' 0.7244(2) 0.1096(2) 0.84749(7) 0.0391(5) Uani d ? . 1.000
  C8 -0.1474(2) -0.1863(2) 0.79369(7) 0.0462(6) Uani d ? . 1.000
  C8' 0.6454(2) 0.0723(2) 0.80653(7) 0.0467(6) Uani d ? . 1.000
  C9 -0.2918(2) -0.2978(2) 0.76754(7) 0.0516(6) Uani d ? . 1.000
  C9' 0.7852(2) 0.1850(2) 0.77799(7) 0.0501(6) Uani d ? . 1.000
  C10 -0.2915(3) -0.3998(2) 0.74770(10)
  0.0850(10)
  Uani d ? . 1.000
  C10' 0.8945(2) 0.1257(2) 0.75919(8) 0.0711(8) Uani d ? . 1.000
  C11 -0.4000(2) -0.2357(2) 0.74980(9) 0.0736(8) Uani d ? . 1.000
  C11' 0.7782(3) 0.2874(2) 0.75740(10)
  0.0816(9) Uani d ? . 1.000
  C12 0.0457(2) -0.0539(2) 0.89558(8) 0.0462(6) Uani d ? . 1.000
  C12' 0.4610(2) -0.0615(2) 0.90355(8) 0.0456(6) Uani d ? . 1.000
  C13 0.1024(2) -0.0039(2) 0.85365(8) 0.0605(7) Uani d ? . 1.000
  C13' 0.4191(2) -0.1144(2) 0.85949(9) 0.0606(7) Uani d ? . 1.000
  C14 0.0405(3) 0.0100(2) 0.93890(10)
  0.0784(9) Uani d ? . 1.000
  C14' 0.4507(2) -0.1237(2) 0.94766(9) 0.0693(8) Uani d ? . 1.000
  C15 0.4899(2) -0.4137(2) 0.92830(10)
  0.0687(8) Uani d ? . 1.000
  C15' 0.0069(2) 0.2989(2) 0.93508(8) 0.0550(7) Uani d ? . 1.000
  C16 0.5245(3) -0.5206(2) 0.91920(10)
  0.0794(9) Uani d ? . 1.000
  C16' -0.0310(2) 0.4048(2) 0.92541(9) 0.0608(7) Uani d ? . 1.000
  C17 0.5503(3) -0.5375(2) 0.86700(10)
  0.0788(9) Uani d ? . 1.000
  C17' -0.0526(2) 0.4217(2) 0.87313(9) 0.0604(7) Uani d ? . 1.000
  C18 0.4424(3) -0.5024(2) 0.83701(9) 0.0658(8) Uani d ? . 1.000
  C18' 0.0589(2) 0.3881(2) 0.84482(8) 0.0580(7) Uani d ? . 1.000
  C19 0.4101(2) -0.3961(2) 0.84836(8) 0.0544(7) Uani d ? . 1.000
  C19' 0.0951(2) 0.2830(2) 0.85626(7) 0.0462(6) Uani d ? . 1.000
  H1 0.1976 -0.2854 0.8637 0.060 Uiso c ? . 1.000
  H1' 0.3457 0.2835 0.8712 0.066 Uiso c ? . 1.000
  H2 0.1596 -0.3978 0.8625 0.060 Uiso c ? . 1.000
  H2' 0.3101 0.1787 0.8712 0.067 Uiso c ? . 1.000
  H3 0.0064 -0.3659 0.9244 0.071 Uiso c ? . 1.000
  H3' 0.4882 0.2477 0.9357 0.062 Uiso c ? . 1.000
  H4 0.0420 -0.2151 0.9632 0.066 Uiso c ? . 1.000
  H4' 0.4547 0.0886 0.9697 0.072 Uiso c ? . 1.000
  H5 -0.1610 -0.1591 0.9383 0.058 Uiso c ? . 1.000
  H5' 0.6557 0.0531 0.9470 0.068 Uiso c ? . 1.000
  H6 -0.2019 -0.3015 0.8964 0.055 Uiso c ? . 1.000
  H6' 0.7043 0.1901 0.9105 0.052 Uiso c ? . 1.000
  H7 -0.2859 -0.1715 0.8507 0.079 Uiso c ? . 1.000
  H7' 0.7773 0.0593 0.8584 0.062 Uiso c ? . 1.000
  H8 -0.0476 -0.1968 0.7967 0.087 Uiso c ? . 1.000
  H8' 0.6596 0.0109 0.8021 0.072 Uiso c ? . 1.000
  H9 -0.1667 -0.1210 0.7873 0.066 Uiso c ? . 1.000
  H9' 0.5514 0.0715 0.8110 0.065 Uiso c ? . 1.000
  H10' 0.9679 0.1543 0.7668 0.085 Uiso c ? . 1.000
  H10 -0.2193 -0.4403 0.7606 0.087 Uiso c ? . 1.000
  H11' 0.8848 0.1212 0.7250 0.087 Uiso c ? . 1.000
  H11 -0.2899 -0.3979 0.7116 0.095 Uiso c ? . 1.000
  H12 -0.3774 -0.4310 0.7620 0.104 Uiso c ? . 1.000
  H12' 0.8889 0.0563 0.7713 0.097 Uiso c ? . 1.000
  H13 -0.3811 -0.2214 0.7123 0.098 Uiso c ? . 1.000
  H13' 0.7067 0.3232 0.7721 0.097 Uiso c ? . 1.000
  H14 -0.4775 -0.2543 0.7570 0.096 Uiso c ? . 1.000
  H14' 0.7692 0.2877 0.7222 0.116 Uiso c ? . 1.000
  H15 -0.4027 -0.1578 0.7696 0.107 Uiso c ? . 1.000
  H15' 0.8480 0.3215 0.7686 0.112 Uiso c ? . 1.000
  H16 0.0752 -0.0439 0.8200 0.113 Uiso c ? . 1.000
  H16' 0.3336 -0.1338 0.8637 0.070 Uiso c ? . 1.000
  H17 0.1878 0.0181 0.8607 0.088 Uiso c ? . 1.000
  H17' 0.4261 -0.0719 0.8334 0.071 Uiso c ? . 1.000
  H18 0.0557 0.0504 0.8448 0.083 Uiso c ? . 1.000
  H18' 0.4706 -0.1727 0.8547 0.082 Uiso c ? . 1.000
  H19 0.1247 0.0174 0.9511 0.104 Uiso c ? . 1.000
  H19' 0.4906 -0.0914 0.9714 0.093 Uiso c ? . 1.000
  H20 0.0051 0.0699 0.9311 0.096 Uiso c ? . 1.000
  H20' 0.4895 -0.1856 0.9422 0.100 Uiso c ? . 1.000
  H21 -0.0111 -0.0222 0.9628 0.103 Uiso c ? . 1.000
  H21' 0.3666 -0.1367 0.9543 0.083 Uiso c ? . 1.000
  H22 0.5578 -0.3711 0.9210 0.084 Uiso c ? . 1.000
  H22' 0.0239 0.2919 0.9685 0.067 Uiso c ? . 1.000
  H23 0.4684 -0.4045 0.9602 0.071 Uiso c ? . 1.000
  H23' -0.0588 0.2540 0.9250 0.071 Uiso c ? . 1.000
  H24 0.5923 -0.5397 0.9362 0.099 Uiso c ? . 1.000
  H24' 0.0364 0.4402 0.9413 0.078 Uiso c ? . 1.000
  H25 0.4513 -0.5594 0.9264 0.091 Uiso c ? . 1.000
  H25' -0.1179 0.4154 0.9437 0.085 Uiso c ? . 1.000
  H26 0.6244 -0.5039 0.8586 0.090 Uiso c ? . 1.000
  H26' -0.1246 0.3851 0.8647 0.071 Uiso c ? . 1.000
  H27 0.5610 -0.6079 0.8625 0.101 Uiso c ? . 1.000
  H27' -0.0659 0.4891 0.8691 0.070 Uiso c ? . 1.000
  H28 0.4622 -0.5039 0.8031 0.087 Uiso c ? . 1.000
  H28' 0.1345 0.4302 0.8472 0.083 Uiso c ? . 1.000
  H29 0.3694 -0.5409 0.8403 0.075 Uiso c ? . 1.000
  H29' 0.0541 0.3987 0.8126 0.080 Uiso c ? . 1.000
  H30 0.4808 -0.3558 0.8413 0.072 Uiso c ? . 1.000
  H30' 0.1685 0.2624 0.8385 0.059 Uiso c ? . 1.000
  H31 0.3420 -0.3751 0.8312 0.061 Uiso c ? . 1.000
  H31' 0.0251 0.2407 0.8475 0.067 Uiso c ? . 1.000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  S1 0.0642(4) 0.1073(5) 0.0400(3) 0.0033(4) -0.0073(3) 0.0142(3)
  S1' 0.0587(3) 0.1142(5) 0.0369(2) 0.0270(4) -0.0015(3) -0.0142(3)
  O1 0.0404(7) 0.0437(8) 0.0419(7) 0.0019(7) -0.0073(6) -0.0060(6)
  O1' 0.0344(7) 0.0410(7) 0.0514(8) 0.0053(7) 0.0090(6) 0.0081(7)
  O2 0.0367(7) 0.0385(7) 0.0646(8) -0.0047(7) -0.0106(7) 0.0060(7)
  O2' 0.0306(6) 0.0379(7) 0.0554(8) -0.0024(6) -0.0014(7) -0.0015(7)
  O3 0.0371(7) 0.0410(8) 0.0655(9) 0.0000(7) -0.0078(7) 0.0019(7)
  O3' 0.0324(7) 0.0388(8) 0.0731(9) 0.0002(6) 0.0049(7) -0.0033(7)
  O4 0.0394(7) 0.0720(10)
  0.0453(7) -0.0213(8) -0.0013(6) -0.0008(8)
  O4' 0.0403(7) 0.0670(10)
  0.0431(7) -0.0189(8) 0.0024(6) -0.0022(7)
  O5 0.0458(8) 0.0840(10)
  0.0503(8) -0.0126(9) 0.0140(7) -0.0099(9)
  O5' 0.0436(8) 0.0780(10)
  0.0550(9) -0.0120(9) -0.0128(7) 0.0054(9)
  N1 0.0470(10)
  0.0530(10)
  0.0530(10)
  0.0050(10)
  -0.0062(9) 0.0016(9)
  N1' 0.0376(8) 0.0500(10)
  0.0385(8) 0.0053(8) 0.0038(7) -0.0003(8)
  C1 0.0470(10)
  0.0380(10)
  0.0460(10)
  -0.0060(10)
  -0.0080(10)
  0.0046(9)
  C1' 0.0400(10)
  0.0390(10)
  0.0391(9) 0.0010(10)
  0.0016(8) -0.0053(9)
  C2 0.0450(10)
  0.0400(10)
  0.0390(10)
  0.0010(10)
  -0.0038(9) 0.0032(9)
  C2' 0.0380(10)
  0.0430(10)
  0.0348(9) 0.0049(9) 0.0030(8) -0.0015(9)
  C3 0.0430(10)
  0.0370(10)
  0.0380(10)
  -0.0050(10)
  -0.0047(9) 0.0002(9)
  C3' 0.0360(10)
  0.0380(10)
  0.0384(9) -0.0007(9) 0.0036(8) -0.0033(8)
  C4 0.0420(10)
  0.0430(10)
  0.0346(9) -0.0070(10)
  -0.0035(9) 0.0004(9)
  C4' 0.0340(9) 0.0410(10)
  0.0363(9) -0.0015(9) -0.0005(9) -0.0016(9)
  C5 0.0370(10)
  0.0500(10)
  0.0430(10)
  -0.0030(10)
  0.0057(9) -0.0070(10)
  C5' 0.0313(9) 0.0390(10)
  0.0460(10)
  -0.0019(9) -0.0056(9) -0.0004(9)
  C6 0.0340(10)
  0.0480(10)
  0.0406(9) -0.0090(10)
  0.0052(8) -0.0030(10)
  C6' 0.0282(9) 0.0390(10)
  0.0450(10)
  -0.0032(9) -0.0040(8) -0.0025(9)
  C7 0.0269(9) 0.0510(10)
  0.0470(10)
  -0.0032(9) 0.0038(8) -0.0050(10)
  C7' 0.0251(9) 0.0450(10)
  0.0470(10)
  0.0004(9) -0.0008(8) -0.0021(9)
  C8 0.0390(10)
  0.0470(10)
  0.0520(10)
  -0.0050(10)
  0.0040(10)
  0.0080(10)
  C8' 0.0400(10)
  0.0480(10)
  0.0520(10)
  -0.0040(10)
  -0.0040(10)
  -0.0070(10)
  C9 0.0440(10)
  0.070(2) 0.0410(10)
  -0.0110(10)
  0.0078(9) -0.0080(10)
  C9' 0.0400(10)
  0.0660(10)
  0.0450(10)
  -0.0070(10)
  -0.0060(9) 0.0020(10)
  C10 0.093(2) 0.081(2) 0.082(2) -0.012(2) 0.016(2) -0.025(2)
  C10' 0.0510(10)
  0.109(2) 0.0530(10)
  -0.001(2) 0.0070(10)
  -0.001(2)
  C11 0.0510(10)
  0.114(2) 0.0560(10)
  0.002(2) -0.0100(10)
  0.000(2)
  C11' 0.087(2) 0.077(2) 0.081(2) -0.010(2) -0.014(2) 0.0240(10)
  C12 0.0440(10)
  0.0370(10)
  0.0570(10)
  -0.0010(10)
  -0.0100(10)
  0.0000(10)
  C12' 0.0340(10)
  0.0360(10)
  0.0670(10)
  -0.0030(10)
  0.0020(10)
  0.0060(10)
  C13 0.0550(10)
  0.0530(10)
  0.0740(10)
  -0.0110(10)
  -0.0130(10)
  0.0190(10)
  C13' 0.0520(10)
  0.0490(10)
  0.081(2) -0.0090(10)
  0.0020(10)
  -0.0170(10)
  C14 0.103(2) 0.0540(10)
  0.078(2) -0.012(2) -0.008(2) -0.0210(10)
  C14' 0.064(2) 0.0580(10)
  0.086(2) -0.0100(10)
  -0.0060(10)
  0.0240(10)
  C15 0.0490(10)
  0.079(2) 0.078(2) 0.0060(10)
  -0.0160(10)
  0.005(2)
  C15' 0.0400(10)
  0.068(2) 0.0570(10)
  0.0090(10)
  0.0080(10)
  0.0030(10)
  C16 0.060(2) 0.068(2) 0.111(2) 0.0130(10)
  -0.009(2) 0.025(2)
  C16' 0.0540(10)
  0.064(2) 0.0650(10)
  0.0140(10)
  0.0010(10)
  -0.0160(10)
  C17 0.070(2) 0.055(2) 0.111(2) 0.0120(10)
  0.020(2) 0.002(2)
  C17' 0.0570(10)
  0.0450(10)
  0.080(2) 0.0140(10)
  -0.0080(10)
  -0.0020(10)
  C18 0.065(2) 0.0570(10)
  0.076(2) -0.0050(10)
  0.0160(10)
  -0.0090(10)
  C18' 0.0590(10)
  0.0560(10)
  0.0590(10)
  0.0000(10)
  -0.0020(10)
  0.0110(10)
  C19 0.0510(10)
  0.0570(10)
  0.0550(10)
  0.0050(10)
  0.0070(10)
  0.0030(10)
  C19' 0.0420(10)
  0.0530(10)
  0.0430(10)
  0.0050(10)
  -0.0059(9) -0.0020(10)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  S1 C1 . . 1.665(2) yes
  O1 C3 . . 1.442(2) yes
  O1 C6 . . 1.421(2) yes
  O2 C4 . . 1.425(2) yes
  O2 C12 . . 1.423(3) yes
  O3 C5 . . 1.431(2) yes
  O3 C12 . . 1.431(3) yes
  O4 C7 . . 1.431(2) yes
  O4 C9 . . 1.426(2) yes
  O5 C8 . . 1.411(3) yes
  O5 C9 . . 1.411(3) yes
  N1 C1 . . 1.331(3) yes
  N1 C15 . . 1.475(3) ?
  N1 C19 . . 1.463(3) ?
  C1 C2 . . 1.516(3) yes
  C2 C3 . . 1.516(3) no
  C3 C4 . . 1.534(3) no
  C4 C5 . . 1.543(3) no
  C5 C6 . . 1.527(3) no
  C6 C7 . . 1.505(3) no
  C7 C8 . . 1.534(3) no
  C9 C10 . . 1.493(4) no
  C9 C11 . . 1.519(4) no
  C12 C13 . . 1.495(3) no
  C12 C14 . . 1.501(3) no
  C15 C16 . . 1.519(4) no
  C16 C17 . . 1.517(4) no
  C17 C18 . . 1.511(4) no
  C18 C19 . . 1.518(3) no
  S1' C1' . . 1.672(2) yes
  O1' C3' . . 1.433(2) yes
  O1' C6' . . 1.422(2) yes
  O2' C4' . . 1.423(2) yes
  O2' C12' . . 1.424(2) yes
  O3' C5' . . 1.428(2) yes
  O3' C12' . . 1.434(2) yes
  O4' C7' . . 1.434(2) yes
  O4' C9' . . 1.417(2) yes
  O5' C8' . . 1.418(3) yes
  O5' C9' . . 1.412(3) yes
  N1' C1' . . 1.325(2) yes
  N1' C15' . . 1.471(3) ?
  N1' C19' . . 1.473(3) ?
  C1' C2' . . 1.505(3) yes
  C2' C3' . . 1.507(3) no
  C3' C4' . . 1.530(3) no
  C4' C5' . . 1.542(3) no
  C5' C6' . . 1.527(3) no
  C6' C7' . . 1.520(3) no
  C7' C8' . . 1.521(3) no
  C9' C10' . . 1.517(3) no
  C9' C11' . . 1.509(4) no
  C12' C13' . . 1.506(3) no
  C12' C14' . . 1.510(3) no
  C15' C16' . . 1.518(3) no
  C16' C17' . . 1.513(3) no
  C17' C18' . . 1.508(3) no
  C18' C19' . . 1.513(3) no
  C2 H1 . . 0.97 no
  C2 H2 . . 0.96 no
  C3 H3 . . 1.03 no
  C4 H4 . . 1.07 no
  C5 H5 . . 1.05 no
  C6 H6 . . 0.98 no
  C7 H7 . . 1.03 no
  C8 H8 . . 1.08 no
  C8 H9 . . 0.93 no
  C10 H10 . . 1.02 no
  C10 H11 . . 1.02 no
  C10 H12 . . 1.09 no
  C11 H13 . . 1.10 no
  C11 H14 . . 0.89 no
  C11 H15 . . 1.20 no
  C13 H16 . . 1.13 no
  C13 H17 . . 0.98 no
  C13 H18 . . 0.93 no
  C14 H19 . . 0.97 no
  C14 H20 . . 0.92 no
  C14 H21 . . 0.98 no
  C15 H22 . . 0.95 no
  C15 H23 . . 0.94 no
  C16 H24 . . 0.91 no
  C16 H25 . . 0.97 no
  C17 H26 . . 0.95 no
  C17 H27 . . 0.97 no
  C18 H28 . . 0.98 no
  C18 H29 . . 0.94 no
  C19 H30 . . 0.96 no
  C19 H31 . . 0.92 no
  C2' H1' . . 0.98 no
  C2' H2' . . 0.95 no
  C3' H3' . . 0.97 no
  C4' H4' . . 1.01 no
  C5' H5' . . 0.92 no
  C6' H6' . . 1.02 no
  C7' H7' . . 0.94 no
  C8' H8' . . 0.86 no
  C8' H9' . . 1.02 no
  C10' H10' . . 0.90 no
  C10' H11' . . 0.97 no
  C10' H12' . . 1.00 no
  C11' H13' . . 1.00 no
  C11' H14' . . 1.00 no
  C11' H15' . . 0.94 no
  C13' H16' . . 0.96 no
  C13' H17' . . 0.94 no
  C13' H18' . . 0.97 no
  C14' H19' . . 0.91 no
  C14' H20' . . 0.95 no
  C14' H21' . . 0.94 no
  C15' H22' . . 0.97 no
  C15' H23' . . 0.97 no
  C16' H24' . . 0.98 no
  C16' H25' . . 1.07 no
  C17' H26' . . 0.95 no
  C17' H27' . . 0.93 no
  C18' H28' . . 0.99 no
  C18' H29' . . 0.92 no
  C19' H30' . . 0.97 no
  C19' H31' . . 0.98 no
_cod_database_code 2008914