| SpectraBase Spectrum ID |
V954kC2eIr |
| Name |
1-[(3S,8S,9S,10R,11R,13S,14S,16S,17R)-10,13-dimethyl-3,11,16-tris(oxidanyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone |
| Alternate Name(s) |
1-[(3S,8S,9S,10R,11R,13S,14S,16S,17R)-3,11,16-trihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O4 |
| InChI |
InChI=1S/C21H32O4/c1-11(22)18-16(24)9-15-14-5-4-12-8-13(23)6-7-20(12,2)19(14)17(25)10-21(15,18)3/h4,13-19,23-25H,5-10H2,1-3H3/t13-,14-,15-,16-,17+,18-,19+,20-,21-/m0/s1 |
| InChIKey |
UVOZASBZHASWCB-MSNNUKIHSA-N |
| Molecular Weight |
348.483 g/mol |
| SMILES |
O[C@]1([C@@]2([C@]3(CC[C@@](CC3=CC[C@]2([C@@]2(C[C@@]([C@@]([C@]2(C1)C)(C(C)=O)[H])(O)[H])[H])[H])(O)[H])C)[H])[H] |
| SPLASH |
splash10-001i-3429000000-5402ef1629a8269e2871 |
| Source of Spectrum |
G4-63-491-4 |
| Wiley ID |
1608365 |
