| SpectraBase Spectrum ID |
IiZMNyEqJBz |
| Name |
Ethyl (E)-3-Oxopregna-1,4,17(20)-trien-21-oate |
| CAS Registry Number |
68550-69-6 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H30O3 |
| InChI |
InChI=1S/C23H30O3/c1-4-26-21(25)14-16-6-8-19-18-7-5-15-13-17(24)9-11-22(15,2)20(18)10-12-23(16,19)3/h9,11,13-14,18-20H,4-8,10,12H2,1-3H3/b16-14+/t18-,19-,20-,22-,23+/m0/s1 |
| InChIKey |
AEUYRUJBORACHZ-AQUITYKESA-N |
| Molecular Weight |
354.490 g/mol |
| SMILES |
[C@@]12(C(=CC(C=C2)=O)CC[C@]2([C@@]3(CC\C([C@]3(CC[C@]12[H])C)=C/C(=O)OCC)[H])[H])C |
| SPLASH |
splash10-0a4i-0229000000-d6f605f2b50d2e7b50bc |
| Source of Spectrum |
J-44-709-0 |
| Synonyms |
Ethyl (17E)-3-oxopregna-1,4,17-trien-21-oate |
| Wiley ID |
1344950 |
