For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3α,7α-dihydroxy-12-oxo-5β-cholan-24-oic acid, methyl ester, diacetate

Compound with spectra: 1 NMR, 2 FTIR, and 1 MS (GC)

3α,7α-dihydroxy-12-oxo-5β-cholan-24-oic acid, methyl ester, diacetate
SpectraBase Compound ID GrOHI8ScHyT
InChI InChI=1S/C29H44O7/c1-16(7-10-26(33)34-6)21-8-9-22-27-23(15-25(32)29(21,22)5)28(4)12-11-20(35-17(2)30)13-19(28)14-24(27)36-18(3)31/h16,19-24,27H,7-15H2,1-6H3/t16-,19+,20-,21-,22+,23+,24-,27+,28+,29-/m1/s1
InChIKey GVIZCQOBODPSLY-ZNYVGMLLSA-N
Mol Weight 504.7 g/mol
Molecular Formula C29H44O7
Exact Mass 504.308704 g/mol
Enantiomer InChIKey GVIZCQOBODPSLY-YCGMOIGPSA-N

View Spectrum of 3α,7α-dihydroxy-12-oxo-5β-cholan-24-oic acid, methyl ester, diacetate

1H NMR Spectrum
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent CDCl3

View Spectrum of 3α,7α-dihydroxy-12-oxo-5β-cholan-24-oic acid, methyl ester, diacetate

FTIR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number S35283-7
Technique KBr WAFER

View Spectrum of 3α,7α-dihydroxy-12-oxo-5β-cholan-24-oic acid, methyl ester, diacetate

Vapor Phase IR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.

View Spectrum of 3α,7α-dihydroxy-12-oxo-5β-cholan-24-oic acid, methyl ester, diacetate

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum W5-36756-28780-28780
  • 5B-CHOLAN-24-OIC ACID, 3A,7A-DI- HYDROXY-12-OXO-, METHYL ESTER, DI- ACETATE
  • (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-diacetoxy-12-keto-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]valeric acid methyl ester
3a,7a-Diacetoxy-12-oxo-5b-cholanoic acid, methyl ester
Cholan-24-oic acid, 7-(acetyloxy)-3-(acetyl-D3-oxy)-12-oxo-, methyl ester, (3.alpha.,5.beta.,7.alpha.)-
3.alpha.,7.alpha.-diacetoxy-12-oxopregnane-20-propanoic acid methyl ester
(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-7-acetoxy-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
7a-Acetoxy-3,12-dioxo-5b-cholanoic acid, methyl ester
(3.alpha.,5.beta.,7.alpha.)-3,7-Bis(acetyloxy)pregnane-12,20-dione
18,20-Dinorpicrasane-13-carboxylic acid, 3-(acetyloxy)-12,16-dioxo-, methyl ester, (3.alpha.,5.beta.,13.beta.,14.alpha.)-
18,20-Dinorpicrasane-13-carboxylic acid, 3-(nitrooxy)-12,16-dioxo-, methyl ester, (3.alpha.,5.beta.,13.beta.,14.alpha.)-
(4R)-4-[(3R,5S,7S,8R,9S,10S,13S,14S,17R)-3,7-diacetoxy-16-keto-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]valeric acid methyl ester
BIS-[(7,12-DIMETHOXY-23-METHOXYCARBONYL)-CHOLANYL-3-OXY]-N,N'-XYLYLENE-DICARBAMATE
Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.