| Properties | Image |
|---|
| MNX_ID | MNXM106135 |
 |
| reference | chebi:66566 |
| formula | C27H32O6 |
| global charge | 0 |
| mol weight | 452.547 |
| InChIKey | HZCGTSDDHHPRDX-UZTOHYMASA-N |
| InChI | InChI=1S/C27H32O6/c1-14(2)7-9-16-20(28)12-22-23(26(16)31-6)27-19(13-32-22)18-11-21(29)25(30-5)17(24(18)33-27)10-8-15(3)4/h7-8,11-12,19,27-29H,9-10,13H2,1-6H3/t19-,27+/m0/s1 |
| SMILES | COC1=C(O)C=C2C(=C1CC=C(C)C)O[C@H]1C3=C(OC)C(CC=C(C)C)=C(O)C=C3OC[C@@H]21 |
MNX internals
| InChI (mnx) | InChI=1/C27H32O6/c1-14(2)7-9-16-20(28)12-22-23(26(16)31-6)27-19(13-32-22)18-11-21(29)25(30-5)17(24(18)33-27)10-8-15(3)4/h7-8,11-12,19,27-29H,9-10,13H2,1-6H3/t19-,27+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:14]([CH3:2])=[CH:7][CH2:9][C:16]1=[C:20]([OH:28])[CH:12]=[C:22]2[C:23](=[C:26]1[O:31][CH3:6])[C@H:27]1[C@@H:19]([CH2:13][O:32]2)[C:18]2=[CH:11][C:21]([OH:29])=[C:25]([O:30][CH3:5])[C:17]([CH2:10][CH:8]=[C:15]([CH3:3])[CH3:4])=[C:24]2[O:33]1 |
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