| Properties | Image |
|---|
| MNX_ID | MNXM101143 |
 |
| reference | chebi:70189 |
| formula | C27H36O4 |
| global charge | 0 |
| mol weight | 424.581 |
| InChIKey | QKXAGRZCXAYBQX-IGRQAULMSA-N |
| InChI | InChI=1S/C27H36O4/c1-19(2)9-6-12-22(26(29)30)13-7-10-20(3)11-8-15-27(5)16-14-23-18-24(28)17-21(4)25(23)31-27/h9,11,13-14,16-18,28H,6-8,10,12,15H2,1-5H3,(H,29,30)/b20-11+,22-13+/t27-/m1/s1 |
| SMILES | CC(C)=CCC/C(=C\CC/C(C)=C/CC[C@]1(C)C=CC2=C(O1)C(C)=CC(O)=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C27H36O4/c1-19(2)9-6-12-22(26(29)30)13-7-10-20(3)11-8-15-27(5)16-14-23-18-24(28)17-21(4)25(23)31-27/h9,11,13-14,16-18,28H,6-8,10,12,15H2,1-5H3,(H,29,30)/b20-11+,22-13+/t27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:19]([CH3:2])=[CH:9][CH2:6][CH2:12]/[C:22](=[CH:13]\[CH2:7][CH2:10]/[C:20]([CH3:3])=[CH:11]/[CH2:8][CH2:15][C@:27]1([CH3:5])[CH:16]=[CH:14][C:23]2=[CH:18][C:24]([OH:28])=[CH:17][C:21]([CH3:4])=[C:25]2[O:31]1)[C:26](=[O:29])[OH:30] |
|