| SpectraBase Spectrum ID |
J9EaBJ8NpnY |
| Name |
16,17-seco-3-Methoxyestra-1,3,5(10)-trien-17-al-(2',4'-Dinitrophenyl)-hydrazone |
| Alternate Name(s) |
N-[(E)-[(1S,2S,4aS,10aR)-7-methoxy-2-methyl-1-propyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-yl]methylideneamino]-2,4-dinitroaniline
N-[(E)-[(1S,2S,4aS,10aR)-7-methoxy-2-methyl-1-propyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-yl]methyleneamino]-2,4-dinitro-aniline
N-[(E)-[(1S,2S,4aS,10aR)-7-methoxy-2-methyl-1-propyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-yl]methylideneamino]-2,4-dinitro-aniline |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H32N4O5 |
| InChI |
InChI=1S/C26H32N4O5/c1-4-5-23-22-9-6-17-14-19(35-3)8-10-20(17)21(22)12-13-26(23,2)16-27-28-24-11-7-18(29(31)32)15-25(24)30(33)34/h7-8,10-11,14-16,21-23,28H,4-6,9,12-13H2,1-3H3/b27-16+/t21-,22-,23+,26-/m1/s1 |
| InChIKey |
QKKNQNFAJSFPKC-GQLULVLTSA-N |
| Molecular Weight |
480.565 g/mol |
| SMILES |
N(\N=C\[C@@]1([C@]([C@@]2(CCc3c([C@]2(CC1)[H])ccc(OC)c3)[H])(CCC)[H])C)c1c(N(=O)=O)cc(N(=O)=O)cc1 |
| SPLASH |
splash10-0002-0090300000-0ebae52caa27232e6425 |
| Source of Spectrum |
U1-2009-3549-10i |
| Wiley ID |
1696939 |
