| SpectraBase Compound ID | Ao7hSdhZnmD |
|---|---|
| InChI | InChI=1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3 |
| InChIKey | DLYVTEULDNMQAR-UHFFFAOYSA-N |
| Mol Weight | 422.6 g/mol |
| Molecular Formula | C25H42O5 |
| Exact Mass | 422.303224 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CQO5UvBHPXB |
|---|---|
| Name | Cholan-24-oic acid, 3,7,12-trihydroxy-, methyl ester, (3.alpha.,5.beta.,7.alpha.,12.alpha.)- |
| CAS Registry Number | 1448-36-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H42O5 |
| InChI | InChI=1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3 |
| InChIKey | DLYVTEULDNMQAR-UHFFFAOYSA-N |
| Molecular Weight | 422.606 g/mol |
| SMILES | OC1CC2CC(CCC2(C2CC(C3(C(C12)CCC3C(CCC(OC)=O)C)C)O)C)O |
| SPLASH | splash10-0fki-0094000000-4833f426549380392f07 |
| Source of Spectrum | KO-9-474-3 |
| Synonyms | Methyl 3,7,12-trihydroxycholan-24-oate 4-(3,7,12-trihydroxy-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-(3,7,12-trihydroxy-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 Cholic acid, methyl ester Methyl 3.alpha.,7.alpha.,12.alpha.-trihydroxy-5.beta.-cholan-24-oate Methyl 3.alpha.,7.alpha.,12.alpha.-trihydroxy-5.beta.-cholanate Methyl 3.alpha.,7.alpha.,12.alpha.-trihydroxy-5.beta.-cholanoate Methyl 4-(3,7,12-trihydroxy-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-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Methyl cholate EINECS 215-903-7 NSC 126794 |
| Wiley ID | 1378707 |