| SpectraBase Compound ID | EkuItDV8XgP |
|---|---|
| InChI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,24-27H,7-17H2,1-6H3 |
| InChIKey | RUVUHIUYGJBLGI-UHFFFAOYSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C29H48O |
| Exact Mass | 412.370516 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2Xs3Oc4Yn5A |
|---|---|
| Name | Stigmast-4-en-3-one |
| CAS Registry Number | 1058-61-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O |
| InChI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,24-27H,7-17H2,1-6H3 |
| InChIKey | RUVUHIUYGJBLGI-UHFFFAOYSA-N |
| Molecular Weight | 412.702 g/mol |
| SMILES | C12(C(C3CCC=4C(C3CC2)(CCC(=O)C4)C)CCC1C(CCC(C(C)C)CC)C)C |
| SPLASH | splash10-01vx-9581700000-619d28d67f1d88d41665 |
| Source of Spectrum | QA-41-196-1 |
| Synonyms | .delta.4-Sitosterol-3-one 17-(4-ethyl-1,5-dimethyl-hexyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 17-(5-ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 4-Stigmasten-3-one Sitostenone NSC 49082 |
| Wiley ID | 861829 |