| SpectraBase Spectrum ID |
1L2J6awU7AG |
| Name |
3.ALPHA.-HYDROXY-5.ALPHA.-PREGNAN-11,20-DIONE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
332.235144887 u |
| Formula |
C21H32O3 |
| InChI |
InChI=1S/C21H32O3/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/h13-17,19,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,19+,20-,21+/m0/s1 |
| InChIKey |
DUHUCHOQIDJXAT-OLVMNOGESA-N |
| Molecular Weight |
332.484 g/mol |
| Nominal Mass |
332 u |
| Number of Peaks |
139 |
| SMILES |
O[C@@]1(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)[H] |
| SPLASH |
splash10-001l-9743000000-b062610287ecd5b7ee9f |
| Source File Reference |
LMCM-30217-519D |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
3-HYDROXYPREGNANE-11,20-DIONE
(3R,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-11(2H)-one |
| Wiley ID |
4_361 |
