| Properties | Image |
|---|
| MNX_ID | MNXM108044 |
 |
| reference | chebi:68413 |
| formula | C26H36O4 |
| global charge | 0 |
| mol weight | 412.57 |
| InChIKey | KEKDEOVVWKTZKA-NZGJWSFPSA-N |
| InChI | InChI=1S/C26H36O4/c1-25(21-26(2)23(29-30-25)20-24(27)28-26)19-15-10-8-6-4-3-5-7-9-12-16-22-17-13-11-14-18-22/h7,9,11-14,16-18,23H,3-6,8,10,15,19-21H2,1-2H3/b9-7+,16-12+/t23-,25-,26-/m0/s1 |
| SMILES | C[C@]1(CCCCCCCC/C=C/C=C/C2=CC=CC=C2)C[C@]2(C)OC(=O)C[C@@H]2OO1 |
MNX internals
| InChI (mnx) | InChI=1/C26H36O4/c1-25(21-26(2)23(29-30-25)20-24(27)28-26)19-15-10-8-6-4-3-5-7-9-12-16-22-17-13-11-14-18-22/h7,9,11-14,16-18,23H,3-6,8,10,15,19-21H2,1-2H3/b9-7+,16-12+/t23-,25-,26-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@:25]1([CH2:19][CH2:15][CH2:10][CH2:8][CH2:6][CH2:4][CH2:3][CH2:5]/[CH:7]=[CH:9]/[CH:12]=[CH:16]/[C:22]2=[CH:17][CH:13]=[CH:11][CH:14]=[CH:18]2)[CH2:21][C@@:26]2([CH3:2])[C@H:23]([CH2:20][C:24](=[O:27])[O:28]2)[O:29][O:30]1 |
|