| Properties | Image |
|---|
| MNX_ID | MNXM107968 |
 |
| reference | chebi:68049 |
| formula | C27H28O6 |
| global charge | 0 |
| mol weight | 448.515 |
| InChIKey | FDPHNMKJMRWIBY-UHFFFAOYSA-N |
| InChI | InChI=1S/C27H28O6/c1-16(2)10-12-31-20-8-7-17(13-22(20)29-5)19-15-32-23-14-21-18(9-11-27(3,4)33-21)26(30-6)24(23)25(19)28/h7-11,13-15H,12H2,1-6H3 |
| SMILES | COC1=C(OCC=C(C)C)C=CC(C2=COC3=CC4=C(C=CC(C)(C)O4)C(OC)=C3C2=O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C27H28O6/c1-16(2)10-12-31-20-8-7-17(13-22(20)29-5)19-15-32-23-14-21-18(9-11-27(3,4)33-21)26(30-6)24(23)25(19)28/h7-11,13-15H,12H2,1-6H3 |
 |
| SMILES (mnx) | [CH3:1][C:16]([CH3:2])=[CH:10][CH2:12][O:31][C:20]1=[C:22]([O:29][CH3:5])[CH:13]=[C:17]([C:19]2=[CH:15][O:32][C:23]3=[CH:14][C:21]4=[C:18]([CH:9]=[CH:11][C:27]([CH3:3])([CH3:4])[O:33]4)[C:26]([O:30][CH3:6])=[C:24]3[C:25]2=[O:28])[CH:7]=[CH:8]1 |
|