| SpectraBase Compound ID | CfnTiuH4u0M |
|---|---|
| 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/h7-8,10,18-21,24-26H,9,11-17H2,1-6H3/b8-7+/t19-,20+,21-,24+,25-,26-,27-,28+/m0/s1 |
| InChIKey | AHWOEMBXZXGDBQ-LLSCCSQYSA-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 | L5V27cvNZmu |
|---|---|
| Name | Ergosta-7,22-dien-3-one |
| Appearance | White flakes |
| 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/h7-8,10,18-21,24-26H,9,11-17H2,1-6H3/b8-7+/t19-,20+,21-,24+,25-,26-,27-,28+/m0/s1 |
| InChIKey | AHWOEMBXZXGDBQ-LLSCCSQYSA-N |
| Instrument Name | Agilent 6890N-5973 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0501886 |
| Molecular Weight | 396.659 g/mol |
| Reported Formula | C28H45O |
| SMILES | C1C[C@]2([C@](CC1=O)(CC=C1[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])[H])C |
| SPLASH | splash10-014i-3491000000-581b46072de12a9594ef |
| Source of Spectrum | G4-68-SM4-4-1 |
| Thin-Layer Chromatography | Rf = 0.85 |
| Wiley ID | 1884076 |