| SpectraBase Spectrum ID |
H5kbicEcPS1 |
| Name |
Pregna-1,4,20-trien-3-one |
| CAS Registry Number |
65754-63-4 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O |
| InChI |
InChI=1S/C21H28O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h4,9,11,13-14,17-19H,1,5-8,10,12H2,2-3H3/t14-,17-,18-,19-,20+,21-/m0/s1 |
| InChIKey |
KFTYFBOHSUEIEJ-NWSAAYAGSA-N |
| Molecular Weight |
296.454 g/mol |
| SMILES |
[C@@]12(C(=CC(C=C2)=O)CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)(C=C)[H])[H])[H])C |
| SPLASH |
splash10-00di-1950000000-a14974a4abad9253218d |
| Source of Spectrum |
KC-1979-2066-0 |
| Synonyms |
(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-vinyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
(8S,9S,10R,13R,14S,17R)-17-ethenyl-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one |
| Wiley ID |
1299749 |
