| SpectraBase Compound ID | FNwo3zV5YMh |
|---|---|
| InChI | InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,17-20,23-26H,9-16H2,1-6H3/b8-7+ |
| InChIKey | OWYXOXZSAKVGHJ-BQYQJAHWSA-N |
| Mol Weight | 396.7 g/mol |
| Molecular Formula | C28H44O |
| Exact Mass | 396.339216 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4H0T9mZpjAT |
|---|---|
| Name | Ergosta-4,22-dien-3-one |
| CAS Registry Number | 4030-92-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H44O |
| InChI | InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,17-20,23-26H,9-16H2,1-6H3/b8-7+ |
| InChIKey | OWYXOXZSAKVGHJ-BQYQJAHWSA-N |
| Molecular Weight | 396.659 g/mol |
| SMILES | C12(C(C3C(C4(CCC(C=C4CC3)=O)C)CC2)CCC1C(\C=C\C(C(C)C)C)C)C |
| SPLASH | splash10-0apj-9012000000-08443684619b8479e5ff |
| Source of Spectrum | JX-2015-6-2775 |
| Synonyms | (22E)-Ergosta-4,22-dien-3-one 10,13-dimethyl-17-[(E)-1,4,5-trimethylhex-2-enyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Ergost-4,5-22,23-diene-3-one 17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Brassicasterone (E)-17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one |
| Wiley ID | 1728389 |