| SpectraBase Spectrum ID |
KmIJaxDTi8m |
| Name |
3'-O-Demethyl-seco-cularine |
| Alternate Name(s) |
1-[2''-(N,N-dimethoxy-2'-hydroxy-dibenzo[2,3-b : 6,7-a']-1-oxacycloheptane
7-[2-(dimethylamino)ethyl]-2,10-dimethoxy-3-benzo[b][1]benzoxepinol
7-[2-(dimethylamino)ethyl]-2,10-dimethoxybenzo[b][1]benzoxepin-3-ol |
| Comments |
Removed - expert review: contamination (acetone)) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H23NO4 |
| InChI |
InChI=1S/C20H23NO4/c1-21(2)10-9-13-6-8-17(23-3)20-15(13)7-5-14-11-16(22)19(24-4)12-18(14)25-20/h5-8,11-12,22H,9-10H2,1-4H3 |
| InChIKey |
OTFRAAWKLLKVCJ-UHFFFAOYSA-N |
| Molecular Weight |
341.407 g/mol |
| SMILES |
Oc1cc2c(Oc3c(C=C2)c(CCN(C)C)ccc3OC)cc1OC |
| SPLASH |
splash10-0a4i-9000000000-d7db2ff6b6b8abbf2b37 |
| Source of Spectrum |
X2-47-766-44 |
| Wiley ID |
1601494 |
