| SpectraBase Compound ID | FVpuaEUgSki |
|---|---|
| InChI | InChI=1S/C30H48O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h8-9,20-21,23-28H,1,10-18H2,2-7H3/b9-8+/t20?,21-,23?,24+,25+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey | APRAJRZRWBZHAY-ZUULWKHZSA-N |
| Mol Weight | 440.7 g/mol |
| Molecular Formula | C30H48O2 |
| Exact Mass | 440.365431 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9L1uv7T4wYy |
|---|---|
| Name | 3-.beta.-Acetoxy-24.xi.-methylcholesta-22,25-diene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O2 |
| InChI | InChI=1S/C30H48O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h8-9,20-21,23-28H,1,10-18H2,2-7H3/b9-8+/t20?,21-,23?,24+,25+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey | APRAJRZRWBZHAY-ZUULWKHZSA-N |
| Molecular Weight | 440.712 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])(CC[C@@]1([C@@](\C=C\C(C(=C)C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-0006-9086000000-b956698e22c3295725f6 |
| Source of Spectrum | Y1-37-266-3 |
| Synonyms | (3beta,22E)-ergosta-22,25-dien-3-yl acetate |
| Wiley ID | 1527302 |