| SpectraBase Compound ID | F62CiObPYSd |
|---|---|
| InChI | InChI=1S/C25H40O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h16-17,19-22H,5-15H2,1-4H3 |
| InChIKey | SRLWMUQGWKOYLX-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 | AMsQh1pBBLv |
|---|---|
| Name | Cholan-24-oic acid, 3-oxo-, methyl ester, (5.beta.)- |
| CAS Registry Number | 1173-32-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H40O3 |
| InChI | InChI=1S/C25H40O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h16-17,19-22H,5-15H2,1-4H3 |
| InChIKey | SRLWMUQGWKOYLX-UHFFFAOYSA-N |
| Molecular Weight | 388.592 g/mol |
| SMILES | CC(CCC(=O)OC)C1CCC2C1(CCC1C2CCC2C1(CCC(=O)C2)C)C |
| SPLASH | splash10-0ab9-0931000000-5c86ed0910b14f9a022d |
| Source of Spectrum | W5-33037-32499-32499 |
| Synonyms | Methyl 3-oxocholan-24-oate 4-(10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid methyl ester Cholan-24-oic acid, 3-oxo-, methyl ester, (5.alpha.)- 4-(3-keto-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)valeric acid methyl ester 5.alpha.-Cholan-24-oic acid, 3-oxo-, methyl ester Methyl 3-keto-5.alpha.-cholanoate Methyl 4-(10,13-dimethyl-3-oxidanylidene-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate Methyl 4-(10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate |
| Wiley ID | 1364110 |