| SpectraBase Spectrum ID |
2E5KWPkgym |
| Name |
2-[4,5-dimethoxy-5-(3-phenyl-trans-allyl)cyclohexa-3,6-dien-2-on-1-ylmethyl]-5-hydroxy-6-methoxy-3-phenylbenzofuran |
| Appearance |
Yellow amorphous solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H30O6 |
| InChI |
InChI=1S/C33H30O6/c1-36-29-20-28-25(18-27(29)35)32(23-14-8-5-9-15-23)30(39-28)17-24-21-33(38-3,31(37-2)19-26(24)34)16-10-13-22-11-6-4-7-12-22/h4-15,18-21,35H,16-17H2,1-3H3/b13-10+ |
| InChIKey |
TZBPQIOKLWLNNI-JLHYYAGUSA-N |
| Instrument Name |
Hitachi M80 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np0300683 |
| Molecular Weight |
522.597 g/mol |
| Optical Rotation |
[a]D25 = +23.6 (c = 0.44, CHCl3) |
| Reported Formula |
C33H30O6 |
| SMILES |
Oc1cc2c(c(CC=3C(C=C(C(C3)(C\C=C\c3ccccc3)OC)OC)=O)oc2cc1OC)-c1ccccc1 |
| SPLASH |
splash10-0aou-1792710000-8f3e430c0f2c75031195 |
| Source of Spectrum |
G4-66-1131-1 |
| Wiley ID |
1881487 |
![2-[4,5-dimethoxy-5-(3-phenyl-trans-allyl)cyclohexa-3,6-dien-2-on-1-ylmethyl]-5-hydroxy-6-methoxy-3-phenylbenzofuran](/api/spectrum/2E5KWPkgym/structure.png?h=300&w=458 "2-[4,5-dimethoxy-5-(3-phenyl-trans-allyl)cyclohexa-3,6-dien-2-on-1-ylmethyl]-5-hydroxy-6-methoxy-3-phenylbenzofuran")
