| Properties | Image |
|---|
| MNX_ID | MNXM105523 |
 |
| reference | chebi:68172 |
| formula | C22H28O6 |
| global charge | 0 |
| mol weight | 388.46 |
| InChIKey | QERLLOLWIRILQQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C22H28O6/c1-13(12-28-15(3)23)14(2)22(16-6-8-18(24)20(10-16)26-4)17-7-9-19(25)21(11-17)27-5/h6-11,13-14,22,24-25H,12H2,1-5H3 |
| SMILES | COC1=CC(C(C2=CC(OC)=C(O)C=C2)C(C)C(C)COC(C)=O)=CC=C1O |
MNX internals
| InChI (mnx) | InChI=1/C22H28O6/c1-13(12-28-15(3)23)14(2)22(16-6-8-18(24)20(10-16)26-4)17-7-9-19(25)21(11-17)27-5/h6-11,13-14,22,24-25H,12H2,1-5H3/t13?,14? |
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| SMILES (mnx) | [CH3:1][CH:13]([CH2:12][O:28][C:15]([CH3:3])=[O:23])[CH:14]([CH3:2])[CH:22]([C:16]1=[CH:10][C:20]([O:26][CH3:4])=[C:18]([OH:24])[CH:8]=[CH:6]1)[C:17]1=[CH:11][C:21]([O:27][CH3:5])=[C:19]([OH:25])[CH:9]=[CH:7]1 |
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