| SpectraBase Compound ID | 6aAbVaxwVyJ |
|---|---|
| InChI | InChI=1S/C25H38O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-16,18-20,23H,5-14H2,1-4H3 |
| InChIKey | UZRRNRRCPZZPNY-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 | 5FDfHHKjse |
|---|---|
| Name | 5.alpha.-Cholan-24-oic acid, 3,7-dioxo-, methyl ester |
| CAS Registry Number | 16656-68-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H38O4 |
| InChI | InChI=1S/C25H38O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-16,18-20,23H,5-14H2,1-4H3 |
| InChIKey | UZRRNRRCPZZPNY-UHFFFAOYSA-N |
| Molecular Weight | 402.575 g/mol |
| SMILES | CC12C(C3C(CC2)C2(C)C(CC3=O)CC(CC2)=O)CCC1C(CCC(OC)=O)C |
| SPLASH | splash10-0006-9521000000-a37915c7f41773416c92 |
| Source of Spectrum | T-68-5187-0 |
| Synonyms | Methyl 3,7-dioxocholan-24-oate 4-(10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid methyl ester 4-(3,7-diketo-10,13-dimethyl-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)valeric acid methyl ester Methyl 4-(10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate Methyl 4-[10,13-dimethyl-3,7-bis(oxidanylidene)-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Methyl-3,7-diketo-5.alpha.-cholanoate |
| Wiley ID | 57348 |