| SpectraBase Compound ID | 1z1xq9cvXfQ |
|---|---|
| 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-DLJKSAGUSA-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 | B0dhUq5WDSq |
|---|---|
| Name | Ergosterol-peroxide |
| Comments | Less than 3 mono-isotopic peaks |
| 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-DLJKSAGUSA-N |
| Molecular Weight | 428.657 g/mol |
| SMILES | OC1CC23OOC4(C5C(C([C@@](\C=C\[C@@](C(C)C)(C)[H])(C)[H])CC5)(CCC4C2(CC1)C)C)C=C3 |
| SPLASH | splash10-0002-0009000000-555b3026d39a667e54c3 |
| Source of Spectrum | G4-70-318-6 |
| Wiley ID | 1694866 |