| SpectraBase Compound ID | 9gPada8X5eD |
|---|---|
| InChI | InChI=1S/C25H40O3/c1-16(8-13-23(27)28-4)19-11-12-20-18-10-9-17-7-5-6-14-24(17,2)21(18)15-22(26)25(19,20)3/h16-21H,5-15H2,1-4H3 |
| InChIKey | FELXMWLVJDZDPZ-UHFFFAOYSA-N |
| Mol Weight | 388.6 g/mol |
| Molecular Formula | C25H40O3 |
| Exact Mass | 388.297745 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | E6SwimKDRR2 |
|---|---|
| Name | Methyl 12-oxocholan-24-oate |
| Alternate Name(s) | Cholan-24-oic acid, 12-oxo-, methyl ester, (5.beta.)- 4-(10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid methyl ester 4-(12-keto-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)valeric acid methyl ester 5.beta.-Cholan-24-oic acid, 12-oxo-, methyl ester 5.beta.-Cholanic acid, 12-oxo-, methyl ester Cholan-24-oic acid, 12-oxo-, methyl ester Methyl 4-(10,13-dimethyl-12-oxidanylidene-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate Methyl 4-(10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate Methyl-12-keto-5.beta.-cholanoate |
| CAS Registry Number | 1173-30-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H40O3 |
| InChI | InChI=1S/C25H40O3/c1-16(8-13-23(27)28-4)19-11-12-20-18-10-9-17-7-5-6-14-24(17,2)21(18)15-22(26)25(19,20)3/h16-21H,5-15H2,1-4H3 |
| InChIKey | FELXMWLVJDZDPZ-UHFFFAOYSA-N |
| Molecular Weight | 388.592 g/mol |
| SMILES | CC(CCC(=O)OC)C1CCC2C1(C(=O)CC1C2CCC2C1(CCCC2)C)C |
| SPLASH | splash10-001r-9543000000-6dfa83e489efe7401824 |
| Source of Spectrum | W-10-266-12 |
| Wiley ID | 56124 |