| SpectraBase Spectrum ID |
I4GwN7S2Pq |
| Name |
16,17-seco-3-Methoxyestra-1,3,5(10)-trien-17-al-Thiosemicarbazone |
| Alternate Name(s) |
[(E)-[(1S,2S,4aS,10aR)-7-methoxy-2-methyl-1-propyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-yl]methylideneamino]thiourea
1-[(E)-[(1S,2S,4aS,10aR)-7-methoxy-2-methyl-1-propyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-yl]methylideneamino]thiourea |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H31N3OS |
| InChI |
InChI=1S/C21H31N3OS/c1-4-5-19-18-8-6-14-12-15(25-3)7-9-16(14)17(18)10-11-21(19,2)13-23-24-20(22)26/h7,9,12-13,17-19H,4-6,8,10-11H2,1-3H3,(H3,22,24,26)/b23-13+/t17-,18-,19+,21-/m1/s1 |
| InChIKey |
BBBXCCJIHQCKAT-BOSZNGRMSA-N |
| Molecular Weight |
373.559 g/mol |
| SMILES |
N(C(=S)N)\N=C\[C@@]1([C@]([C@]2([C@@](c3c(cc(cc3)OC)CC2)(CC1)[H])[H])(CCC)[H])C |
| SPLASH |
splash10-0fka-0922000000-90334535c85eaf7fd9dd |
| Source of Spectrum |
U1-2009-3549-10L |
| Wiley ID |
1696890 |
