| SpectraBase Spectrum ID |
DbMygHClJJp |
| Name |
Ethyl (E)-3-oxopregna-4,17(20)-diene-21-oate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.235144887 u |
| Formula |
C23H32O3 |
| InChI |
InChI=1S/C23H32O3/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/h13-14,18-20H,4-12H2,1-3H3/b16-14+/t18-,19-,20-,22-,23+/m0/s1 |
| InChIKey |
NWDXEMHCXZDFKU-AQUITYKESA-N |
| Molecular Weight |
356.506 g/mol |
| SMILES |
[C@@]12(\C(=C\C(=O)OCC)CC[C@]2([C@@]2(CCC=3[C@@]([C@]2(CC1)[H])(CCC(=O)C3)C)[H])[H])C |
