| SpectraBase Compound ID | GP91yv07rvH |
|---|---|
| InChI | InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1 |
| InChIKey | VXOZCESVZIRHCJ-KGHQQZOUSA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C28H44O3 |
| Exact Mass | 428.329045 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8cAbEiPnPfm |
|---|---|
| Name | 5.alpha.,8.alpha.-epidioxyergosta-6,22-diene-3.beta.-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H44O3 |
| InChI | InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1 |
| InChIKey | VXOZCESVZIRHCJ-KGHQQZOUSA-N |
| Instrument Name | Agilent 6890N-5973 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0501886 |
| Molecular Weight | 428.657 g/mol |
| SMILES | O[C@]1(CC[C@]2([C@]3(C1)C=C[C@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@](C)(\C=C\[C@@](C(C)C)(C)[H])[H])[H])[H])C)[H])OO3)C)[H] |
| SPLASH | splash10-05mn-9634000000-a5a66573b278e1b0bbf2 |
| Source of Spectrum | G4-68-SM35-35-1 |
| Thin-Layer Chromatography | Rf = 0.46 |
| Wiley ID | 1884074 |