| SpectraBase Spectrum ID |
LGsriVXqSvz |
| Name |
PREGN-4-ENE-3-ONE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
300.245315649 u |
| Formula |
C21H32O |
| InChI |
InChI=1S/C21H32O/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/h13-14,17-19H,4-12H2,1-3H3/t14-,17-,18-,19-,20+,21-/m0/s1 |
| InChIKey |
AYGFEWYXKDFVIQ-NWSAAYAGSA-N |
| Molecular Weight |
300.486 g/mol |
| Nominal Mass |
300 u |
| Number of Peaks |
92 |
| SMILES |
C1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCC2=C1)[H])[H])(CC)[H])C)[H])C)=O |
| SPLASH |
splash10-0kor-6922000000-2b3ac8282a52201af577 |
| Source File Reference |
LMCM-66305-262M |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
PREGN-4-EN-3-ONE
(8S,9S,10R,13R,14S,17S)-17-ethyl-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one |
| Wiley ID |
4_118 |
