| SpectraBase Spectrum ID |
8QM9Ah0fLNY |
| Name |
5a,14b-pregnane-3,11-dione |
| Alternate Name(s) |
(5alpha,14beta)-pregnane-3,11-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O2 |
| InChI |
InChI=1S/C21H32O2/c1-4-13-6-8-17-16-7-5-14-11-15(22)9-10-20(14,2)19(16)18(23)12-21(13,17)3/h13-14,16-17,19H,4-12H2,1-3H3/t13-,14-,16-,17+,19+,20-,21+/m0/s1 |
| InChIKey |
VCKYTJBPJGNTIZ-RACJLTTFSA-N |
| Molecular Weight |
316.485 g/mol |
| SMILES |
[C@@]12([C@@]([C@@]3(CC[C@@]4([C@@]([C@]3(C(C2)=O)[H])(CCC(=O)C4)C)[H])[H])(CC[C@@]1(CC)[H])[H])C |
| SPLASH |
splash10-0a4i-5942000000-a2de7d48a3206c368cab |
| Source of Spectrum |
SD-1992-0-0 |
| Wiley ID |
1317288 |
