| SpectraBase Spectrum ID |
3A5VqT0yhI5 |
| Name |
16,17-Seco-3-methoxyestra-1,3,5(10)-trien-17-al-(p-nitrophenyl)-hydrazone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
435.252191932 u |
| Formula |
C26H33N3O3 |
| InChI |
InChI=1S/C26H33N3O3/c1-4-5-25-24-12-6-18-16-21(32-3)11-13-22(18)23(24)14-15-26(25,2)17-27-28-19-7-9-20(10-8-19)29(30)31/h7-11,13,16-17,23-25,28H,4-6,12,14-15H2,1-3H3/b27-17+/t23-,24-,25+,26-/m1/s1 |
| InChIKey |
GKIJFSBBAONPKL-KHUDUMTFSA-N |
| Molecular Weight |
435.568 g/mol |
| SMILES |
C=1(N(=O)=O)C=CC(N\N=C\[C@@]2([C@]([C@@]3(CCC4=C([C@]3(CC2)[H])C=CC(OC)=C4)[H])(CCC)[H])C)=CC1 |
