| SpectraBase Compound ID | IvKMvV99c2K |
|---|---|
| InChI | InChI=1S/C25H38O4/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/h15-16,18-21H,5-14H2,1-4H3 |
| InChIKey | VCWDOHJFKGOMRJ-UHFFFAOYSA-N |
| Mol Weight | 402.6 g/mol |
| Molecular Formula | C25H38O4 |
| Exact Mass | 402.27701 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KNjWG3xrVad |
|---|---|
| Name | Cholan-24-oic acid, 3,12-dioxo-, methyl ester, (5.alpha.)- |
| CAS Registry Number | 1174-86-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H38O4 |
| InChI | InChI=1S/C25H38O4/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/h15-16,18-21H,5-14H2,1-4H3 |
| InChIKey | VCWDOHJFKGOMRJ-UHFFFAOYSA-N |
| Molecular Weight | 402.575 g/mol |
| SMILES | CC12C(C3C(C4(C)C(CC(=O)CC4)CC3)CC1=O)CCC2C(CCC(OC)=O)C |
| SPLASH | splash10-0abj-0941000000-c473644a8a7f71a2b7a1 |
| Source of Spectrum | W5-33713-31823-31823 |
| Synonyms | Methyl 3,12-dioxocholan-24-oate 4-(10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid methyl ester 4-(3,12-diketo-10,13-dimethyl-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)valeric acid methyl ester Methyl 4-(10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate Methyl 4-[10,13-dimethyl-3,12-bis(oxidanylidene)-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
| Wiley ID | 1370550 |