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[3,4-(13)C(2)]-(5-BETA,12-ALPHA)-12-(BENZOYLOXY)-3-OXO-CHOLAN-24-OIC-ACID-METHYLESTER

Compound with spectra: 1 NMR

[3,4-(13)C(2)]-(5-BETA,12-ALPHA)-12-(BENZOYLOXY)-3-OXO-CHOLAN-24-OIC-ACID-METHYLESTER
SpectraBase Compound ID InqPyKPakGJ
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/i18+1,23+1
InChIKey XVZWWWVBBJHTJM-VUIMUGOLSA-N
Mol Weight 510.7 g/mol
Molecular Formula C3013C2H44O5
Exact Mass 510.325584 g/mol
Enantiomer InChIKey XVZWWWVBBJHTJM-HLTGUHTNSA-N

View Spectrum of [3,4-(13)C(2)]-(5-BETA,12-ALPHA)-12-(BENZOYLOXY)-3-OXO-CHOLAN-24-OIC-ACID-METHYLESTER

13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
(5-BETA,12-ALPHA)-12-(BENZOYLOXY)-3-OXO-CHOLAN-24-OIC-ACID-METHYLESTER
(5-BETA,12-ALPHA)-12-(BENZOYLOXY)-3-OXO-CHOLAN-24-OIC-ACID-METHYLESTER
23-(Benzothiazol-2'-yl)-3.alpha.,12.alpha.-diacetoxynor-cholane
(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-bis[3-[4-(tosylamino)phenyl]propanoyloxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid methyl ester
DCA-[G#1]-CO2CH2C6H5
DCA-[G#1]-COOH
(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-bis[3-(4-nitrophenyl)-1-oxopropoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester
Methyl 3.alpha.-[(4-nitrophenyl)acetoxy]-12.alpha.-[4-(4-nitrophenyl)butanoyloxy]-5.beta.-cholan-24-oate
(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-12-[2-(4-nitrophenyl)acetyl]oxy-3-[4-(4-nitrophenyl)butanoyloxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid methyl ester
Methyl 4-bromo-3-keto-12-acetoxycholanate
(12-ALPHA)-12-(BENZOYLOXY)-3-OXO-CHOL-4-EN-24-OIC-ACID-METHYLESTER
3.alpha.,12.alpha.-bis(Trimethylsilyl)deoxycholic acid-pentachlorophenyl ester
Title Journal or Book Year
Synthesis of [3,4-13C2]-Enriched Bile Salts as NMR Probes of Protein−Ligand Interactions The Journal of Organic Chemistry 2002
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