| SpectraBase Spectrum ID |
71tOctc2kzu |
| Name |
1,4,6-Pregnatriene-3,20-dione |
| Alternate Name(s) |
(8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one |
| CAS Registry Number |
4192-93-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26O2 |
| InChI |
InChI=1S/C21H26O2/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/h4-5,8,10,12,16-19H,6-7,9,11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1 |
| InChIKey |
OKUWFSWDZQMETE-LEKSSAKUSA-N |
| Molecular Weight |
310.437 g/mol |
| SMILES |
[C@@]12(C(C=C[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@]13[H])C)(C(=O)C)[H])[H])[H])=CC(C=C2)=O)C |
| SPLASH |
splash10-01ox-9405000000-9ec9b9365ec86ef17a20 |
| Source of Spectrum |
O7-0-1019-0 |
| Wiley ID |
1312029 |
