| SpectraBase Compound ID | FYnrXs8rEWd |
|---|---|
| InChI | InChI=1S/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3 |
| InChIKey | ZHUOOEGSSFNTNP-UHFFFAOYSA-N |
| Mol Weight | 406.6 g/mol |
| Molecular Formula | C25H42O4 |
| Exact Mass | 406.30831 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DFIOJBH0YHZ |
|---|---|
| Name | Cholan-24-oic acid, 3,12-dihydroxy-, methyl ester, (3.alpha.,5.beta.,12.alpha.)- |
| CAS Registry Number | 3245-38-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H42O4 |
| InChI | InChI=1S/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3 |
| InChIKey | ZHUOOEGSSFNTNP-UHFFFAOYSA-N |
| Molecular Weight | 406.607 g/mol |
| SMILES | OC1CCC2(C(CCC3C2CC(C2(C3CCC2C(CCC(OC)=O)C)C)O)C1)C |
| SPLASH | splash10-0ab9-0092000000-b41b02e82007cc813d2b |
| Source of Spectrum | KO-9-474-2 |
| Synonyms | Methyl 3,12-dihydroxycholan-24-oate 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 methyl ester 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 methyl ester 5.beta.-Cholan-24-oic acid, 3.alpha.,12.alpha.-dihydroxy-, methyl ester Deoxycholic acid, methyl ester Methyl 3.alpha.,12.alpha.-dihydroxy-5.beta.-cholan-24-oate Methyl 3.alpha.,12.alpha.-dihydroxy-5.beta.-cholanoate Methyl 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)pentanoate Methyl 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]pentanoate Methyl 7-desoxycholate Methyl desoxycholate EINECS 221-819-1 NSC 22957 |
| Wiley ID | 1372347 |