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Cholan-24-oic acid, 3-oxo-, methyl ester, (5.beta.)-
SpectraBase Compound ID F62CiObPYSd
InChI InChI=1S/C25H40O3/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/h16-17,19-22H,5-15H2,1-4H3
InChIKey SRLWMUQGWKOYLX-UHFFFAOYSA-N
Mol Weight 388.6 g/mol
Molecular Formula C25H40O3
Exact Mass 388.297745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2CbxfQCjyg
Name Cholan-24-oic acid, 3-oxo-, methyl ester, (5.beta.)-
CAS Registry Number 1173-32-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O3
InChI InChI=1S/C25H40O3/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/h16-17,19-22H,5-15H2,1-4H3
InChIKey SRLWMUQGWKOYLX-UHFFFAOYSA-N
Molecular Weight 388.592 g/mol
SMILES CC(CCC(=O)OC)C1CCC2C1(CCC1C2CCC2C1(CCC(=O)C2)C)C
SPLASH splash10-00ei-0097000000-83a205e6d9e31f290f1e
Source of Spectrum F-43-4154-3
Synonyms Methyl 3-oxocholan-24-oate 4-(10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid methyl ester Cholan-24-oic acid, 3-oxo-, methyl ester, (5.alpha.)- 4-(3-keto-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)valeric acid methyl ester 5.alpha.-Cholan-24-oic acid, 3-oxo-, methyl ester Methyl 3-keto-5.alpha.-cholanoate Methyl 4-(10,13-dimethyl-3-oxidanylidene-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate Methyl 4-(10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate
Wiley ID 1364111