| SpectraBase Compound ID | 7AsTD9TbqyU |
|---|---|
| InChI | InChI=1S/C28H44O3/c1-18(7-6-8-19(2)26(30)31-5)23-11-12-24-22-10-9-20-17-21(29)13-15-27(20,3)25(22)14-16-28(23,24)4/h17-19,22-25H,6-16H2,1-5H3 |
| InChIKey | YCMCZAOYUJSOBD-UHFFFAOYSA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C28H44O3 |
| Exact Mass | 428.329045 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BXOKl7Wi5ne |
|---|---|
| Name | Cholest-4-en-26-oic acid, 3-oxo-, methyl ester |
| CAS Registry Number | 53481-64-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H44O3 |
| InChI | InChI=1S/C28H44O3/c1-18(7-6-8-19(2)26(30)31-5)23-11-12-24-22-10-9-20-17-21(29)13-15-27(20,3)25(22)14-16-28(23,24)4/h17-19,22-25H,6-16H2,1-5H3 |
| InChIKey | YCMCZAOYUJSOBD-UHFFFAOYSA-N |
| Molecular Weight | 428.657 g/mol |
| SMILES | CC12C(C3C(CC2)C2(C)C(CC3)=CC(CC2)=O)CCC1C(CCCC(C(OC)=O)C)C |
| SPLASH | splash10-05dj-7931100000-1e4a0f5d9ae029a21cfe |
| Source of Spectrum | W5-34752-30784-30784 |
| Synonyms | Methyl 3-oxocholest-4-en-26-oate 6-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-methylheptanoic acid methyl ester 6-(3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-methyl-enanthic acid methyl ester Methyl 6-(10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-methyl-heptanoate Methyl 6-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-methyl-heptanoate Methyl cholest-4-en-3-one-26-oate |
| Wiley ID | 1380875 |