John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=TwWrg78lcK SpectraBase Spectrum ID=2B2V4WzFwMv

(accessed ).
RAPISTERONE-D;5-BETA-CHOLEST-7-EN-2-ALPHA,3-ALPHA,5,14-ALPHA,20R,22R,25-HEPTAHYDROXY-6-ONE
SpectraBase Compound ID TwWrg78lcK
InChI InChI=1S/C27H44O8/c1-22(2,32)9-8-20(30)25(5,33)19-7-11-26(34)16-12-21(31)27(35)14-18(29)17(28)13-24(27,4)15(16)6-10-23(19,26)3/h12,15,17-20,28-30,32-35H,6-11,13-14H2,1-5H3/t15?,17-,18+,19+,20-,23-,24-,25?,26-,27-/m1/s1
InChIKey GMFLGNRCCFYOKL-NHWNVZQOSA-N
Mol Weight 496.6 g/mol
Molecular Formula C27H44O8
Exact Mass 496.303619 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2B2V4WzFwMv
Name RAPISTERONE-D;5-BETA-CHOLEST-7-EN-2-ALPHA,3-ALPHA,5,14-ALPHA,20R,22R,25-HEPTAHYDROXY-6-ONE
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44O8
InChI InChI=1S/C27H44O8/c1-22(2,32)9-8-20(30)25(5,33)19-7-11-26(34)16-12-21(31)27(35)14-18(29)17(28)13-24(27,4)15(16)6-10-23(19,26)3/h12,15,17-20,28-30,32-35H,6-11,13-14H2,1-5H3/t15?,17-,18+,19+,20-,23-,24-,25?,26-,27-/m1/s1
InChIKey GMFLGNRCCFYOKL-NHWNVZQOSA-N
Literature Reference Author U.A.BALTAEV
Literature Reference Citation PHYTOCHEM.,38,799(1995)
Literature Reference DOI 10.1016/0031-9422(94)00592-H
Molecular Weight 496.642 g/mol
Solvent Unknown
Source File Reference UWMS3731
SpectraBase Batch ID Ae3PqeDIeTa