| SpectraBase Compound ID | 1ZjU6t4WLws |
|---|---|
| InChI | InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h9-10,19-27H,8,11-18H2,1-7H3/b10-9+ |
| InChIKey | CPQFPUUOHHSXBC-MDZDMXLPSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C30H50O |
| Exact Mass | 426.386166 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1yzc2Pw45w |
|---|---|
| Name | (22E)-4-Methylstigmast-22-en-3-one |
| CAS Registry Number | 122405-69-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O |
| InChI | InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h9-10,19-27H,8,11-18H2,1-7H3/b10-9+ |
| InChIKey | CPQFPUUOHHSXBC-MDZDMXLPSA-N |
| Molecular Weight | 426.729 g/mol |
| SMILES | C1(CCC2(C(C1C)CCC1C2CCC2(C1CCC2C(C)\C=C\C(C(C)C)CC)C)C)=O |
| SPLASH | splash10-000i-6894200000-90c06e0aeff8eaeef493 |
| Source of Spectrum | NP-14-9727-0 |
| Synonyms | Stigmast-22-en-3-one, 4-methyl-, (4.alpha.)- 17-[(E)-5-ethyl-6-methylhept-3-en-2-yl]-4,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one 17-[(E)-5-ethyl-6-methyl-hept-3-en-2-yl]-4,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one |
| Wiley ID | 1112144 |