| Properties | Image |
|---|
| MNX_ID | MNXM102840 |
 |
| reference | chebi:68120 |
| formula | C22H34O6 |
| global charge | 0 |
| mol weight | 394.508 |
| InChIKey | VTOBGWHJIIZDHV-SDBCYGQVSA-N |
| InChI | InChI=1S/C22H34O6/c1-13(2)6-5-7-14(3)8-9-17(24)15(4)10-18(25)22-19(26)11-16(12-23)20(27)21(22)28-22/h6,8,10-11,17-21,23-27H,5,7,9,12H2,1-4H3/b14-8+,15-10+/t17-,18-,19-,20-,21-,22+/m0/s1 |
| SMILES | CC(C)=CCC/C(C)=C/C[C@H](O)/C(C)=C/[C@H](O)[C@]12O[C@H]1[C@@H](O)C(CO)=C[C@@H]2O |
MNX internals
| InChI (mnx) | InChI=1/C22H34O6/c1-13(2)6-5-7-14(3)8-9-17(24)15(4)10-18(25)22-19(26)11-16(12-23)20(27)21(22)28-22/h6,8,10-11,17-21,23-27H,5,7,9,12H2,1-4H3/b14-8+,15-10+/t17-,18-,19-,20-,21-,22+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:13]([CH3:2])=[CH:6][CH2:5][CH2:7]/[C:14]([CH3:3])=[CH:8]/[CH2:9][C@@H:17](/[C:15]([CH3:4])=[CH:10]/[C@@H:18]([C@@:22]12[C@@H:19]([OH:26])[CH:11]=[C:16]([CH2:12][OH:23])[C@H:20]([OH:27])[C@@H:21]1[O:28]2)[OH:25])[OH:24] |
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