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

*Links on SpectraBase are not permalinks.

[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 © 2016-2024 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
24-Norcholan-23-oic acid, 3,12-bis(acetyloxy)-, methyl ester, (3.alpha.,5.beta.,12.alpha.)-
(12-ALPHA)-12-(BENZOYLOXY)-3-OXO-CHOL-4-EN-24-OIC-ACID-METHYLESTER
(12-ALPHA)-12,24-BIS-(BENZOYLOXY)-CHOL-4-EN-3-ONE
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
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.