| SpectraBase Compound ID | JpbZAXQaT2k |
|---|---|
| InChI | InChI=1S/C28H46O/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/h7-8,18-21,23-26H,9-17H2,1-6H3/b8-7+ |
| InChIKey | NFXOUCCTSGUSAN-BQYQJAHWSA-N |
| Mol Weight | 398.7 g/mol |
| Molecular Formula | C28H46O |
| Exact Mass | 398.354866 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3AMjdIE4AnD |
|---|---|
| Name | Ergost-22-en-3-one, (5.beta.,22E)- |
| CAS Registry Number | 18865-44-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H46O |
| InChI | InChI=1S/C28H46O/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/h7-8,18-21,23-26H,9-17H2,1-6H3/b8-7+ |
| InChIKey | NFXOUCCTSGUSAN-BQYQJAHWSA-N |
| Molecular Weight | 398.675 g/mol |
| SMILES | CC(C)C(C)\C=C\C(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C |
| SPLASH | splash10-0apj-9542000000-6e30eb53b554a30803c4 |
| Source of Spectrum | AD-0-800-0 |
| Synonyms | (22E)-Ergost-22-en-3-one 10,13-dimethyl-17-[(E)-1,4,5-trimethylhex-2-enyl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one 17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one 5.beta.-Ergost-22-en-3-one Ergost-22-en-3-one, (5.beta.)- |
| Wiley ID | 56992 |