| SpectraBase Compound ID | HTU7D4I90J2 |
|---|---|
| InChI | InChI=1S/C26H44O5/c1-5-31-23(30)9-6-15(2)18-7-8-19-24-20(14-22(29)26(18,19)4)25(3)11-10-17(27)12-16(25)13-21(24)28/h15-22,24,27-29H,5-14H2,1-4H3 |
| InChIKey | FPDXMWHJGOCDQJ-UHFFFAOYSA-N |
| Mol Weight | 436.6 g/mol |
| Molecular Formula | C26H44O5 |
| Exact Mass | 436.318875 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | APCpoaALD0e |
|---|---|
| Name | Ethyl 3,7,12-trihydroxycholan-24-oate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H44O5 |
| InChI | InChI=1S/C26H44O5/c1-5-31-23(30)9-6-15(2)18-7-8-19-24-20(14-22(29)26(18,19)4)25(3)11-10-17(27)12-16(25)13-21(24)28/h15-22,24,27-29H,5-14H2,1-4H3 |
| InChIKey | FPDXMWHJGOCDQJ-UHFFFAOYSA-N |
| Molecular Weight | 436.633 g/mol |
| SMILES | OC1C2(C(C3C(CC4C(C3C1)(CCC(C4)O)C)O)CCC2C(CCC(=O)OCC)C)C |
| SPLASH | splash10-052f-9410000000-6975eefa3977fb6c64a2 |
| Source of Spectrum | EP-8159-0-0 |
| Synonyms | 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 ethyl 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 ethyl ester Ethyl 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 Ethyl 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 Ethyl iso-allocholate |
| Wiley ID | 1383627 |