| SpectraBase Compound ID | BNClPDhUGqJ |
|---|---|
| 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/t20-,21?,24?,25?,26?,27?,28+,29-/m1/s1 |
| InChIKey | RUVUHIUYGJBLGI-ZZQJCMJDSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C29H48O |
| Exact Mass | 412.370516 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3eEG2f4qDvC |
|---|---|
| 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/t20-,21?,24?,25?,26?,27?,28+,29-/m1/s1 |
| InChIKey | RUVUHIUYGJBLGI-ZZQJCMJDSA-N |
| Molecular Weight | 412.702 g/mol |
| SMILES | [C@@]12(C(C3CCC=4[C@@](C3CC2)(CCC(=O)C4)C)CCC1[C@@](CCC(C(C)C)CC)(C)[H])C |
| SPLASH | splash10-08os-0954700000-391cc690edebdf05a333 |
| Source of Spectrum | QA-44-318-32 |
| Synonyms | .beta.-Sitostenone .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 (10R,13R)-17-[(2R)-5-ethyl-6-methylheptan-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 (10R,13R)-17-[(2R)-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 Sitostenone NSC 49082 |
| Wiley ID | 862449 |