| SpectraBase Compound ID | BOC1gWCxEPR |
|---|---|
| InChI | InChI=1S/C28H40O3/c1-17(2)27(30)13-6-18(3)25-11-12-26-24-9-7-20-16-21(31-19(4)29)8-10-22(20)23(24)14-15-28(25,26)5/h7,9,17-18,21,25-26H,6,8,10-16H2,1-5H3/t18-,21+,25?,26+,28?/m1/s1 |
| InChIKey | AERKPTIAMXMTHB-LJBDWQGCSA-N |
| Mol Weight | 424.6 g/mol |
| Molecular Formula | C28H40O3 |
| Exact Mass | 424.297745 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AQvQ2PjgNsJ |
|---|---|
| Name | 19-nor-24-Oxo-ergosta-5,7,9-trien-3.beta.-yl Acetate |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H40O3 |
| InChI | InChI=1S/C28H40O3/c1-17(2)27(30)13-6-18(3)25-11-12-26-24-9-7-20-16-21(31-19(4)29)8-10-22(20)23(24)14-15-28(25,26)5/h7,9,17-18,21,25-26H,6,8,10-16H2,1-5H3/t18-,21+,25?,26+,28?/m1/s1 |
| InChIKey | AERKPTIAMXMTHB-LJBDWQGCSA-N |
| Molecular Weight | 424.625 g/mol |
| SMILES | C12([C@](c3ccc4c(c3CC2)CC[C@](OC(=O)C)(C4)[H])(CCC1[C@@](CCC(=O)C(C)C)(C)[H])[H])C |
| SPLASH | splash10-03di-0449000000-b468a578b34b4ec04b43 |
| Source of Spectrum | G4-61-1495-26 |
| Wiley ID | 1607601 |