| SpectraBase Compound ID | 4aeXiqYH9Si |
|---|---|
| InChI | InChI=1S/C25H38O3/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/h15-16,19-22H,5-14H2,1-4H3 |
| InChIKey | WDIPFMUQXPGENA-UHFFFAOYSA-N |
| Mol Weight | 386.6 g/mol |
| Molecular Formula | C25H38O3 |
| Exact Mass | 386.282095 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AqNx3ICkN1C |
|---|---|
| Name | Chol-4-en-24-oic acid, 3-oxo-, methyl ester |
| CAS Registry Number | 1452-33-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H38O3 |
| InChI | InChI=1S/C25H38O3/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/h15-16,19-22H,5-14H2,1-4H3 |
| InChIKey | WDIPFMUQXPGENA-UHFFFAOYSA-N |
| Molecular Weight | 386.576 g/mol |
| SMILES | CC(CCC(=O)OC)C1CCC2C1(CCC1C2CCC2=CC(=O)CCC12C)C |
| SPLASH | splash10-00bi-4968000000-2b73f2a98151fe268d57 |
| Source of Spectrum | H-79-988-8 |
| Synonyms | Methyl 3-oxochol-4-en-24-oate 3-Oxochol-4-en-24-oic acid methyl ester 4-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid methyl ester 4-(3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)valeric acid methyl ester Methyl 4-(10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoate Methyl 4-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoate Methyl chol-4-en-3-one-24-oate |
| Wiley ID | 1362921 |