| SpectraBase Compound ID | 7WbeVjD6eoZ |
|---|---|
| InChI | InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-25,27H,7-16H2,1-6H3/t19-,22+,23?,24+,25+,27+,28+,29-/m1/s1 |
| InChIKey | PMBSWZWCNKVWLV-BTCBJDFASA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C29H46O3 |
| Exact Mass | 442.344695 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | H7A37c04yFN |
|---|---|
| Name | 7-Keto-cholesterol - Acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H46O3 |
| InChI | InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-25,27H,7-16H2,1-6H3/t19-,22+,23?,24+,25+,27+,28+,29-/m1/s1 |
| InChIKey | PMBSWZWCNKVWLV-BTCBJDFASA-N |
| Molecular Weight | 442.684 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(C(C=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)=O)[H])(CCC1[C@@](CCCC(C)C)(C)[H])[H])C |
| SPLASH | splash10-03e9-0918000000-5c3acaf74f3a041e2f06 |
| Source of Spectrum | Y4-84-268-5 |
| Synonyms | (3beta)-7-oxocholest-5-en-3-yl acetate Acetic acid [(3S,8S,9S,10R,13R,14S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ester [(3S,8S,9S,10R,13R,14S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate [(3S,8S,9S,10R,13R,14S)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate [(3S,8S,9S,10R,13R,14S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-oxidanylidene-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1550115 |