| SpectraBase Spectrum ID |
Foi8TBKN2IV |
| Name |
5.ALPHA.-PREGNAN-3,20-DIONE |
| Copyright |
Copyright © 2011-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
316.240230268 u |
| Formula |
C21H32O2 |
| InChI |
InChI=1S/C21H32O2/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/h14,16-19H,4-12H2,1-3H3/t14-,16-,17+,18-,19-,20-,21+/m0/s1 |
| InChIKey |
XMRPGKVKISIQBV-BJMCWZGWSA-N |
| Molecular Weight |
316.485 g/mol |
| Nominal Mass |
316 u |
| Number of Peaks |
133 |
| SMILES |
C1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC[C@]2(C1)[H])[H])[H])(C(C)=O)[H])C)[H])C)=O |
| SPLASH |
splash10-00l6-9331000000-64f78711d3080dcf6c3e |
| Source File Reference |
LMCM-27496-609B |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
PREGNANE-3,20-DIONE
(5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one |
| Wiley ID |
4_556 |
