| SpectraBase Spectrum ID |
341dsQFrg9H |
| Name |
3.BETA.-HYDROXY-PREGN-5-ENE-7,20-DIONE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
330.219494823 u |
| Formula |
C21H30O3 |
| InChI |
InChI=1S/C21H30O3/c1-12(22)15-4-5-16-19-17(7-9-21(15,16)3)20(2)8-6-14(23)10-13(20)11-18(19)24/h11,14-17,19,23H,4-10H2,1-3H3/t14-,15+,16-,17-,19-,20-,21+/m0/s1 |
| InChIKey |
WNHLZNUVEVVTSY-GVQHXQKQSA-N |
| Molecular Weight |
330.468 g/mol |
| Nominal Mass |
330 u |
| Number of Peaks |
116 |
| SMILES |
O[C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(C(C=C2C1)=O)[H])[H])(C(C)=O)[H])C)[H])C)[H] |
| SPLASH |
splash10-001l-9523000000-9cf5a105b40669ecae1e |
| Source File Reference |
LMCM-24482-718L |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
3-HYDROXYPREGN-5-ENE-7,20-DIONE
(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-3,4,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7(2H)-one |
| Wiley ID |
4_405 |
