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[3,4-(13)C(2)]-3-OXO-CHOLA-4,6-DIEN-24-OIC-ACID-METHYLESTER

Compound with spectra: 1 NMR

[3,4-(13)C(2)]-3-OXO-CHOLA-4,6-DIEN-24-OIC-ACID-METHYLESTER
SpectraBase Compound ID 8p32OnO8I9N
InChI InChI=1S/C25H36O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h6-7,15-16,19-22H,5,8-14H2,1-4H3/t16-,19-,20+,21-,22-,24-,25+/m0/s1/i15+1,18+1
InChIKey OSRBYFQAFFCYCV-CDWHCZGHSA-N
Mol Weight 386.5 g/mol
Molecular Formula C2313C2H36O3
Exact Mass 386.273155 g/mol
Enantiomer InChIKey OSRBYFQAFFCYCV-YNYPISKUSA-N

View Spectrum of [3,4-(13)C(2)]-3-OXO-CHOLA-4,6-DIEN-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
No Name
Methyl 3-oxochola-4,6-dien-24-oate
STIGMASTA-4,6,24(25)-TRIEN-3-ONE
(25R)-26-(Hydroxy)cholest-4,6-dien-3-one 26-acetate
(4R)-2-hydroxy-4-[(8S,9S,10R,13R,14S,17R)-3-keto-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]valeric acid methyl ester
No Name
(3R)-3-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]butanoic acid methyl ester
No Name
Cholesta-4,6-dien-3-ol, (3.beta.)-
20.beta.,21-Diacetyloxy-pregna-4,6-dien-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
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Unknown Identification

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