| SpectraBase Spectrum ID |
2ZzMmQ7Yqj1 |
| Name |
Stigmast-4-en-3-one |
| Alternate Name(s) |
(8S,9S,10R,13R,14S,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one |
| 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-XJZKHKOHSA-N |
| Molecular Weight |
412.702 g/mol |
| SMILES |
C1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCC2=C1)[H])[H])([C@@](CC[C@@](CC)(C(C)C)[H])(C)[H])[H])C)[H])C)=O |
| SPLASH |
splash10-022a-6894800000-e97586ba92b8049bd602 |
| Source of Spectrum |
PA-11-346-4 |
| Wiley ID |
1789424 |
