| SpectraBase Spectrum ID |
AfAEh3fECt8 |
| Name |
3-Methoxyestra-16,17-seco-1,3,5(10)-trien-17-al |
| Alternate Name(s) |
(1S,2S,4aS,10aR)-7-methoxy-2-methyl-1-propyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxaldehyde |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H28O2 |
| InChI |
InChI=1S/C20H28O2/c1-4-5-19-18-8-6-14-12-15(22-3)7-9-16(14)17(18)10-11-20(19,2)13-21/h7,9,12-13,17-19H,4-6,8,10-11H2,1-3H3/t17-,18-,19+,20-/m1/s1 |
| InChIKey |
KQLBQADAQPAUBO-YSTOQKLRSA-N |
| Molecular Weight |
300.442 g/mol |
| SMILES |
[C@@]12([C@]([C@@](CCC)([H])[C@](CC2)(C=O)C)(CCc2c1ccc(OC)c2)[H])[H] |
| SPLASH |
splash10-0zmi-0779000000-7a3c2ba63ca4f3452677 |
| Source of Spectrum |
U1-2004-94-6 |
| Wiley ID |
1563295 |
