| SpectraBase Compound ID | 3fQD8kc6yE2 |
|---|---|
| InChI | InChI=1S/C28H48O/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/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1 |
| InChIKey | SGNBVLSWZMBQTH-PODYLUTMSA-N |
| Mol Weight | 400.7 g/mol |
| Molecular Formula | C28H48O |
| Exact Mass | 400.370516 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DmD4hOPiaEM |
|---|---|
| Name | Ergost-5-en-3-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H48O |
| InChI | InChI=1S/C28H48O/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/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1 |
| InChIKey | SGNBVLSWZMBQTH-PODYLUTMSA-N |
| Ionization Type | EI positive ion |
| Literature Reference DOI | 10.1021/acs.jnatprod.5b00858 |
| Molecular Weight | 400.691 g/mol |
| SMILES | O[C@]1(CC[C@]2(C(C1)=CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@](C)(CC[C@@](C)(C(C)C)[H])[H])[H])[H])C)[H])[H])C)[H] |
| SPLASH | splash10-052f-9820000000-f6bbe1dc14532d32ca82 |
| Source of Spectrum | G4-79-SM34-4 |
| Wiley ID | 1849257 |