| SpectraBase Spectrum ID |
Hdu2DjHZe66 |
| Name |
PREGNANE-3,11,20-TRIONE, (5.BETA.)- |
| CAS Registry Number |
1474-68-6 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
330.219494823 u |
| Formula |
C21H30O3 |
| InChI |
InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-17,19H,4-11H2,1-3H3/t13-,15+,16-,17+,19-,20+,21-/m1/s1 |
| InChIKey |
AHRWWYGWQKBKBF-PCHYHQBZSA-N |
| Molecular Weight |
330.468 g/mol |
| Nominal Mass |
330 u |
| Number of Peaks |
276 |
| SMILES |
C1(CC[C@@]2([C@]3(C(C[C@@]4([C@](CC[C@]4([C@@]3(CC[C@@]2(C1)[H])[H])[H])(C(C)=O)[H])C)=O)[H])C)=O |
| SPLASH |
splash10-00ea-4941000000-78716a59c91f45b8d18b |
| Source File Reference |
LMCM-66093-568Y |
| Source of Spectrum |
Prof. J. Seibl; ETH Zurich, Switzerland |
| Synonyms |
PREGNANE-3,11,20-TRIONE
(1S,2S,7R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane-5,17-dione |
| Wiley ID |
8_20010 |
