John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=5uccDDwi91B SpectraBase Spectrum ID=GpjjnyCaWxg

(accessed ).
(12-ALPHA)-24-HYDROXY-12-(BENZOYLOXY)-CHOL-4-EN-3-ONE
SpectraBase Compound ID 5uccDDwi91B
InChI InChI=1S/C31H42O4/c1-20(8-7-17-32)25-13-14-26-24-12-11-22-18-23(33)15-16-30(22,2)27(24)19-28(31(25,26)3)35-29(34)21-9-5-4-6-10-21/h4-6,9-10,18,20,24-28,32H,7-8,11-17,19H2,1-3H3/t20-,24+,25-,26+,27+,28+,30+,31-/m1/s1
InChIKey FVDOTKSZFVFOHW-QTRSLAEXSA-N
Mol Weight 478.7 g/mol
Molecular Formula C31H42O4
Exact Mass 478.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GpjjnyCaWxg
Name (12-ALPHA)-24-HYDROXY-12-(BENZOYLOXY)-CHOL-4-EN-3-ONE
Compound Number 7A
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H42O4
InChI InChI=1S/C31H42O4/c1-20(8-7-17-32)25-13-14-26-24-12-11-22-18-23(33)15-16-30(22,2)27(24)19-28(31(25,26)3)35-29(34)21-9-5-4-6-10-21/h4-6,9-10,18,20,24-28,32H,7-8,11-17,19H2,1-3H3/t20-,24+,25-,26+,27+,28+,30+,31-/m1/s1
InChIKey FVDOTKSZFVFOHW-QTRSLAEXSA-N
Literature Reference Author G.P.TOCHTROP,G.T.D.KOSTER,D.P.CISTOLA,D.F.COVEY
Literature Reference Citation J.ORG.CHEM.,67,6764(2002)
Literature Reference DOI 10.1021/jo0259109
Molecular Weight 478.672 g/mol
Solvent CDCl3
Source File Reference UWSI22094
SpectraBase Batch ID 4vDvbkMkqFe