| SpectraBase Compound ID | BKiXs6WaSEW |
|---|---|
| InChI | InChI=1S/C29H46O/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/h8-9,18-21,24-27H,7,10-17H2,1-6H3/b9-8+ |
| InChIKey | MKGZDUKUQPPHFM-CMDGGOBGSA-N |
| Mol Weight | 410.7 g/mol |
| Molecular Formula | C29H46O |
| Exact Mass | 410.354866 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CkG7IPluKnS |
|---|---|
| Name | (22E)-Stigmasta-4,22-dien-3-one |
| CAS Registry Number | 55722-32-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H46O |
| InChI | InChI=1S/C29H46O/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/h8-9,18-21,24-27H,7,10-17H2,1-6H3/b9-8+ |
| InChIKey | MKGZDUKUQPPHFM-CMDGGOBGSA-N |
| Molecular Weight | 410.686 g/mol |
| SMILES | CCC(\C=C\C(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)C |
| SPLASH | splash10-0awc-9320000000-6c6e476f47b6818b6198 |
| Source of Spectrum | F-30-4101-27 |
| Synonyms | Stigmasta-4,22-dien-3-one 17-[(E)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 17-[(E)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 4,22-Stigmastadiene-3-one |
| Wiley ID | 1373901 |