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

*Links on SpectraBase are not permalinks.
[3,4-(13)C(2)]-(12-ALPHA)-12-(BENZOYLOXY)-3-OXO-CHOLA-4,6-DIEN-24-OIC-ACID-METHYLESTER
SpectraBase Compound ID 2NKHcT0c2HB
InChI InChI=1S/C32H40O5/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/h5-9,11-12,18,20,24-28H,10,13-17,19H2,1-4H3/t20-,24-,25+,26-,27-,28-,31-,32+/m0/s1/i18+1,23+1
InChIKey HQGJQLNWTUHYNO-KEFSSFFUSA-N
Mol Weight 506.7 g/mol
Molecular Formula C3013C2H40O5
Exact Mass 506.294284 g/mol
Enantiomer InChIKey HQGJQLNWTUHYNO-NZBASBJASA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
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
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.