| SpectraBase Compound ID | 5GSFrpvPUOu |
|---|---|
| InChI | InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,17-19,22-25H,6-8,11-16H2,1-5H3 |
| InChIKey | XIWMRKFKSRYSIJ-UHFFFAOYSA-N |
| Mol Weight | 382.6 g/mol |
| Molecular Formula | C27H42O |
| Exact Mass | 382.323566 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Kes8eBddtbM |
|---|---|
| Name | 4,6-Cholestadien-3-one |
| Alternate Name(s) | 10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one 17-(1,5-dimethylhexyl)-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one 4,6-Cholestadiene-3-one Cholesta-4,6-dien-3-one 10,13-dimethyl-17-(6-methylheptan-2-yl)-8,9,10,11,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3(2H)-one EINECS 209-299-4 NSC 119073 |
| CAS Registry Number | 566-93-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O |
| InChI | InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,17-19,22-25H,6-8,11-16H2,1-5H3 |
| InChIKey | XIWMRKFKSRYSIJ-UHFFFAOYSA-N |
| Molecular Weight | 382.632 g/mol |
| SMILES | CC(C)CCCC(C)C1CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC12C |
| SPLASH | splash10-001i-7947000000-c8851ec1bb6723c35deb |
| Source of Spectrum | JX-2015-3-1739 |
| Wiley ID | 1725211 |