| SpectraBase Spectrum ID |
3JBjp295jSN |
| Name |
PREGNA-4,16-DIENE-3,20-DIONE |
| CAS Registry Number |
1096-38-4 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
312.208930140 u |
| Formula |
C21H28O2 |
| InChI |
InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,12,16,18-19H,4-5,7-11H2,1-3H3/t16-,18-,19-,20-,21+/m0/s1 |
| InChIKey |
VRRHHTISESGZFN-RKFFNLMFSA-N |
| Molecular Weight |
312.453 g/mol |
| Nominal Mass |
312 u |
| Number of Peaks |
100 |
| SMILES |
C1(CC[C@@]2([C@]3(CC[C@@]4(C(=CC[C@]4([C@@]3(CCC2=C1)[H])[H])C(C)=O)C)[H])C)=O |
| SPLASH |
splash10-01ox-9643000000-6450a84633d66c12afc0 |
| Source File Reference |
LMCM-97506-352P |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
(8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15-decahydro-1H-cyclopenta[a]phenanthren-3(2H)-one |
| Wiley ID |
4_269 |
