| Properties | Image |
|---|
| MNX_ID | MNXM101458 |
 |
| reference | chebi:65725 |
| formula | C36H48O11 |
| global charge | 0 |
| mol weight | 656.769 |
| InChIKey | BMWZKYUHNUEOJU-PNHGQMSBSA-N |
| InChI | InChI=1S/C36H48O11/c1-10-18(2)33(41)47-32-30-31-34(6,17-44-30)26(45-20(4)37)15-27(46-21(5)38)35(31,7)25(14-28(40)42-9)36(32,8)29-19(3)23(13-24(29)39)22-11-12-43-16-22/h10-12,16,23-27,30-32,39H,13-15,17H2,1-9H3/b18-10+/t23-,24+,25-,26-,27+,30-,31+,32-,34-,35+,36-/m1/s1 |
| SMILES | C/C=C(\C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@@](C)([C@@H]23)[C@@H](CC(=O)OC)[C@]1(C)C1=C(C)[C@H](C2=COC=C2)C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C36H48O11/c1-10-18(2)33(41)47-32-30-31-34(6,17-44-30)26(45-20(4)37)15-27(46-21(5)38)35(31,7)25(14-28(40)42-9)36(32,8)29-19(3)23(13-24(29)39)22-11-12-43-16-22/h10-12,16,23-27,30-32,39H,13-15,17H2,1-9H3/b18-10+/t23-,24+,25-,26-,27+,30-,31+,32-,34-,35+,36-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:10]=[C:18](\[CH3:2])[C:33](=[O:41])[O:47][C@@H:32]1[C@H:30]2[C@H:31]3[C@:34]([CH3:6])([CH2:17][O:44]2)[C@H:26]([O:45][C:20]([CH3:4])=[O:37])[CH2:15][C@H:27]([O:46][C:21]([CH3:5])=[O:38])[C@:35]3([CH3:7])[C@@H:25]([CH2:14][C:28](=[O:40])[O:42][CH3:9])[C@:36]1([CH3:8])[C:29]1=[C:19]([CH3:3])[C@H:23]([C:22]2=[CH:16][O:43][CH:12]=[CH:11]2)[CH2:13][C@@H:24]1[OH:39] |
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