| SpectraBase Spectrum ID |
3zpMB3fqPFM |
| Name |
17.ALPHA.-HYDROXY-5.BETA.-PREGNAN-3,20-DIONE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
332.235144887 u |
| Formula |
C21H32O3 |
| InChI |
InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h14,16-18,24H,4-12H2,1-3H3/t14-,16-,17+,18+,19+,20+,21+/m1/s1 |
| InChIKey |
UUOHXXXJRQGPLC-QCQJMWNZSA-N |
| Molecular Weight |
332.484 g/mol |
| Nominal Mass |
332 u |
| Number of Peaks |
117 |
| SMILES |
O[C@@]1(CC[C@]2([C@@]3(CC[C@@]4(CC(CC[C@@]4([C@]3(CC[C@]12C)[H])C)=O)[H])[H])[H])C(C)=O |
| SPLASH |
splash10-001u-9662000000-f2728f04c23b4e1ccd39 |
| Source File Reference |
LMCM-63354-822X |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
17-HYDROXYPREGNANE-3,20-DIONE
(5R,8R,9S,10S,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one |
| Wiley ID |
4_251 |
