SpectraBase Spectrum ID |
6472uGZKCNM |
Name |
Ethaverine-m (ho-) ac P1587 |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
453.215137716 u |
Formula |
C26H31NO6 |
InChI |
InChI=1S/C26H31NO6/c1-6-29-22-15-19-10-11-27-21(20(19)16-23(22)30-7-2)12-18-13-24(31-8-3)26(32-9-4)25(14-18)33-17(5)28/h10-11,13-16H,6-9,12H2,1-5H3 |
InChIKey |
BUNZMNAHOKUPML-UHFFFAOYSA-N |
Molecular Weight |
453.535 g/mol |
SMILES |
C=1C2=CC=NC(CC=3C=C(OCC)C(=C(C3)OC(C)=O)OCC)=C2C=C(OCC)C1OCC |