| SpectraBase Spectrum ID |
6VaRruEIE3V |
| Name |
2-Hydroxypregn-1,4-dien-3,20-dione |
| Alternate Name(s) |
2-Hydroxypregna-1,4-diene-3,20-dione
(8S,9S,10S,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-2-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O3 |
| InChI |
InChI=1S/C21H28O3/c1-12(22)15-6-7-16-14-5-4-13-10-18(23)19(24)11-21(13,3)17(14)8-9-20(15,16)2/h10-11,14-17,24H,4-9H2,1-3H3/t14-,15+,16-,17-,20+,21-/m0/s1 |
| InChIKey |
LFMVLAGJUCSZOP-QSYHORGMSA-N |
| Molecular Weight |
328.452 g/mol |
| SMILES |
OC1=C[C@]2(C(=CC1=O)CC[C@]1([C@@]3(CC[C@@]([C@]3(CC[C@]21[H])C)(C(=O)C)[H])[H])[H])C |
| SPLASH |
splash10-000i-0901000000-3d67dd2a4817d5ab7135 |
| Source of Spectrum |
F-47-8367-18 |
| Wiley ID |
1326693 |
