John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=IdxehIy1Ug7 SpectraBase Spectrum ID=6efpbVIkIRd

(accessed ).
(5-BETA,12-ALPHA)-12-(BENZOYLOXY)-3-OXO-CHOLAN-24-OIC-ACID-METHYLESTER
SpectraBase Compound ID IdxehIy1Ug7
InChI InChI=1S/C32H44O5/c1-20(10-15-29(34)36-4)25-13-14-26-24-12-11-22-18-23(33)16-17-31(22,2)27(24)19-28(32(25,26)3)37-30(35)21-8-6-5-7-9-21/h5-9,20,22,24-28H,10-19H2,1-4H3/t20-,22-,24+,25-,26+,27+,28+,31+,32-/m1/s1
InChIKey XVZWWWVBBJHTJM-SDPUYNCSSA-N
Mol Weight 508.7 g/mol
Molecular Formula C32H44O5
Exact Mass 508.318875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6efpbVIkIRd
Name (5-BETA,12-ALPHA)-12-(BENZOYLOXY)-3-OXO-CHOLAN-24-OIC-ACID-METHYLESTER
Compound Number 4A
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H44O5
InChI InChI=1S/C32H44O5/c1-20(10-15-29(34)36-4)25-13-14-26-24-12-11-22-18-23(33)16-17-31(22,2)27(24)19-28(32(25,26)3)37-30(35)21-8-6-5-7-9-21/h5-9,20,22,24-28H,10-19H2,1-4H3/t20-,22-,24+,25-,26+,27+,28+,31+,32-/m1/s1
InChIKey XVZWWWVBBJHTJM-SDPUYNCSSA-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 508.698 g/mol
Solvent CDCl3
Source File Reference UWSI22092
SpectraBase Batch ID 55ryeRy6Ebi