| SpectraBase Spectrum ID |
DBZCiK40BWe |
| Name |
3,20-allopregnanedione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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/h14,16-19H,4-12H2,1-3H3/t14-,16-,17+,18-,19-,20-,21+/m0/s1 |
| InChIKey |
XMRPGKVKISIQBV-BJMCWZGWSA-N |
| Molecular Weight |
316.485 g/mol |
| SMILES |
C1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC[C@]2(C1)[H])[H])[H])(C(C)=O)[H])C)[H])C)=O |
| SPLASH |
splash10-000x-9750000000-ab5622b1893f347fdd29 |
| Source of Spectrum |
Fu-Qiang Peng, et al. Chemosphere, V.95, 2014, P.581-588 |
| Synonyms |
(5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethylhexadecahydro-3H-cyclopenta[a]phenanthren-3-one |
| Wiley ID |
1817364 |
