| SpectraBase Compound ID | IlbCbPsORpR |
|---|---|
| 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/h7-10,17-20,22-26,29H,11-16H2,1-6H3/b8-7+ |
| InChIKey | HMRNCKZFVFLUKE-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 | RsYVHwyzq4 |
|---|---|
| Name | (22E)-Ergosta-4,6,22-trien-3-ol |
| CAS Registry Number | 96790-32-8 |
| 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/h7-10,17-20,22-26,29H,11-16H2,1-6H3/b8-7+ |
| InChIKey | HMRNCKZFVFLUKE-BQYQJAHWSA-N |
| Molecular Weight | 396.659 g/mol |
| SMILES | OC1C=C2C=CC3C4CCC(C(\C=C\C(C(C)C)C)C)C4(CCC3C2(CC1)C)C |
| SPLASH | splash10-05mn-9403000000-38f54754c86a33210d2e |
| Source of Spectrum | W5-1989-38389-27147 |
| Synonyms | 10,13-dimethyl-17-[(E)-1,4,5-trimethylhex-2-enyl]-2,3,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol 17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol Ergosta-4,6,22-trien-3.alpha.-ol Ergosta-4,6,22-trien-3.beta.-ol |
| Wiley ID | 1367794 |