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3a,12a-Dihydroxy-5b-cholan-24-oic acid

View entire compound with spectra: 9 NMR, and 7 MS (GC)

3a,12a-Dihydroxy-5b-cholan-24-oic acid
SpectraBase Compound ID JF2iXwjHogg
InChI InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)
InChIKey KXGVEGMKQFWNSR-UHFFFAOYSA-N
Mol Weight 392.6 g/mol
Molecular Formula C24H40O4
Exact Mass 392.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FbO4zu2ttIk
Name Cholan-24-oic acid, 3,12-dihydroxy-, (3.alpha.,5.beta.,12.alpha.)-
CAS Registry Number 83-44-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H40O4
InChI InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)
InChIKey KXGVEGMKQFWNSR-UHFFFAOYSA-N
Molecular Weight 392.580 g/mol
SMILES OC1CCC2(C(CCC3C2CC(C2(C3CCC2C(CCC(=O)O)C)C)O)C1)C
SPLASH splash10-0a4i-8941000000-9ce24275efe3084fe3f9
Source of Spectrum B4-0-0-0
Synonyms 3,12-Dihydroxycholan-24-oic acid 3,12-Dihydroxycholan-24-oic acid, (3alpha,5beta,12alpha)- 3,12-Dihydroxycholanic acid 3-.alpha.,12-.alpha.-Dihydroxycholansaeure 4-(3,12-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 4-(3,12-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 4-[10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid 5.beta.-Cholan-24-oic acid, 3.alpha.,12.alpha.-dihydroxy- 7-Desoxycholic acid 7.alpha.-Deoxycholic acid Cholan-24-oic acid, 3,12-dihydroxy-, (3-.alpha., 5-.beta.,12-.alpha.)- Cholan-24-oic acid, 3,12-dihydroxy-, (3-alpha,5-beta,12-alpha)- Cholan-24-oic, 3,12-dihydroxy-(3alpha,5beta,12alpha)- Choleic acid Cholerebic Cholic acid, deoxy- Cholorebic Degalol Deoxy cholic acid Deoxycholate Deoxycholatic acid Desoxycholic acid Desoxycholsaeure Dihydroxycholanoic acid Droxolan l7-.beta.-(1-Methyl-3-carboxypropyl)-etiocholane-3-.alpha.,12-.alpha.-diol Pyrochol Septochol BRN 3219882 CCRIS 1627 EINECS 201-478-5 HSDB 293 NSC 8797
Wiley ID 1365985