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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
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
3a,7a-Diacetoxy-12-oxo-5b-cholanoic 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
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
3.alpha.,7.alpha.-Diacetoxy-23-(1'-acetylbenzimidazol-2'-yl)nor-cholane
Chol-11-en-24-oic acid, 3,7-bis(acetyloxy)-, methyl ester, (3.alpha.,5.beta.,7.alpha.)-
METHYL-3-ALPHA,7-ALPHA-ACETYLOXY-12-ALPHA-HYDROXY-5-BETA-CHOLAN-24-OATE
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Unknown Identification

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