| SpectraBase Spectrum ID |
DWxauBQTfOH |
| Name |
PREGN-4-EN-3-ONE, 20-HYDROXY-, (20S)- |
| CAS Registry Number |
145-14-2 |
| Copyright |
Copyright © 2011-2024 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/h12-13,16-19,22H,4-11H2,1-3H3/t13-,16-,17+,18-,19-,20-,21+/m0/s1 |
| InChIKey |
RWBRUCCWZPSBFC-RXRZZTMXSA-N |
| Molecular Weight |
316.485 g/mol |
| Nominal Mass |
316 u |
| Number of Peaks |
275 |
| SMILES |
O[C@]([C@]1(CC[C@]2([C@@]3(CCC4=CC(CC[C@@]4([C@]3(CC[C@]12C)[H])C)=O)[H])[H])[H])(C)[H] |
| SPLASH |
splash10-00dm-6920000000-8e4d475680ba014da187 |
| Source File Reference |
LMCM-95540-745H |
| Source of Spectrum |
Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany |
| Synonyms |
(1S,2R,10S,11S,14S,15S)-14-[(1S)-1-hydroxyethyl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-6-en-5-one
20-HYDROXYPREGN-4-EN-3-ONE |
| Wiley ID |
8_39888 |
