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Methyl 3,7-dihydroxycholan-24-oate

View entire compound with spectra: 7 NMR, and 4 MS (GC)

Methyl 3,7-dihydroxycholan-24-oate
SpectraBase Compound ID 9xz8JTyvVoj
InChI InChI=1S/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3
InChIKey GRQROVWZGGDYSW-UHFFFAOYSA-N
Mol Weight 406.6 g/mol
Molecular Formula C25H42O4
Exact Mass 406.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gq1UHhx0OKo
Name Methyl 3,7-dihydroxycholan-24-oate
Alternate Name(s) Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3.alpha.,5.beta.,7.alpha.)- 4-(3,7-dihydroxy-10,13-dimethyl-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 5.alpha.-Cholan-24-oic acid, 3.alpha.,7.alpha.-dihydroxy-, methyl ester 4-(3,7-dihydroxy-10,13-dimethyl-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 5.alpha.-Cholan-24-oic acid, 3.beta.,7.alpha.-dihydroxy-, methyl ester Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3.beta.,5.alpha.,7.alpha.)- 5.beta.-Cholan-24-oic acid, 3.alpha.,7.alpha.-dihydroxy-, methyl ester Chenodeoxycholic acid methyl ester Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3alpha,5beta,7alpha)- Methyl 3.alpha.,7.alpha.-dihydroxy-5.beta.-cholan-24-oate Methyl 3.alpha.,7.alpha.-dihydroxy-5.beta.-cholanoate Methyl 3.beta.,7.alpha.-dihydroxy-5.alpha.-cholanate Methyl 4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate Methyl 4-[10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Methyl allochenodeoxycholate Methyl chenodeoxycholate Methyl chenodesoxycholate Methyl-3.alpha.,7.alpha.-dihydroxy-5.alpha.-cholanoate Methyl-3.beta.,7.alpha.-dihydroxy-5.alpha.-cholanoate
CAS Registry Number 14772-98-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H42O4
InChI InChI=1S/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3
InChIKey GRQROVWZGGDYSW-UHFFFAOYSA-N
Molecular Weight 406.607 g/mol
SMILES OC1CC2C(C3CCC4(C(CCC4C3C(C2)O)C(C)CCC(=O)OC)C)(CC1)C
SPLASH splash10-059i-7955000000-feb380dc0bd08a60fdef
Source of Spectrum T-68-5193-0
Wiley ID 57668