| SpectraBase Compound ID | 9kwkY1k4qfq |
|---|---|
| InChI | InChI=1S/C30H48O3/c1-18(2)27(32)13-8-19(3)23-11-12-25-22-9-10-24-20(4)28(33-21(5)31)15-17-30(24,7)26(22)14-16-29(23,25)6/h8,13,18-20,22-26,28H,9-12,14-17H2,1-7H3/b13-8+/t19-,20+,22+,23-,24?,25+,26+,28+,29-,30+/m1/s1 |
| InChIKey | JRYDVJNCKIIOGL-DOGPHDJASA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C30H48O3 |
| Exact Mass | 456.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 11GlYt1JoIw |
|---|---|
| Name | 3.beta.-Acetoxy-4.alpha.-methylcholest-22(E)-en-24-one |
| Alternate Name(s) | (3beta,4alpha,22E)-4-methyl-24-oxocholest-22-en-3-yl acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O3 |
| InChI | InChI=1S/C30H48O3/c1-18(2)27(32)13-8-19(3)23-11-12-25-22-9-10-24-20(4)28(33-21(5)31)15-17-30(24,7)26(22)14-16-29(23,25)6/h8,13,18-20,22-26,28H,9-12,14-17H2,1-7H3/b13-8+/t19-,20+,22+,23-,24?,25+,26+,28+,29-,30+/m1/s1 |
| InChIKey | JRYDVJNCKIIOGL-DOGPHDJASA-N |
| Molecular Weight | 456.711 g/mol |
| SMILES | [C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](\C=C\C(=O)C(C)C)(C)[H])[H])[H])([H])CCC2[C@](C)([C@](CC1)(OC(=O)C)[H])[H])[H])C |
| SPLASH | splash10-004i-1910000000-7b79f160491aba70cd18 |
| Source of Spectrum | J-56-2362-0 |
| Wiley ID | 1389502 |