| SpectraBase Compound ID | IF26Eoa3px4 |
|---|---|
| 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/h10,17-19,23-25H,6-9,11-16H2,1-5H3/t19-,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | SLFZVVVDTKTSRR-JRFVBUDKSA-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 | 3QWmd1b4dss |
|---|---|
| Name | Cholesta-4,7-dien-3-one |
| CAS Registry Number | 16826-35-0 |
| 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/h10,17-19,23-25H,6-9,11-16H2,1-5H3/t19-,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | SLFZVVVDTKTSRR-JRFVBUDKSA-N |
| Molecular Weight | 382.632 g/mol |
| SMILES | C=12[C@]3([C@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC3)[H])(C)CC[C@@]2([C@]2(CCC(C=C2CC1)=O)C)[H])[H] |
| SPLASH | splash10-001r-0019000000-cd9d3c5b9e809bfe1ef5 |
| Source of Spectrum | F-47-7074-7 |
| Synonyms | (9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one (9S,10R,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,6,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one |
| Wiley ID | 1360892 |