| Properties | Image |
|---|
| MNX_ID | MNXM101528 |
 |
| reference | chebi:70456 |
| formula | C34H38O13 |
| global charge | 0 |
| mol weight | 654.665 |
| InChIKey | GVKXFVCXBFGBCD-CABMIHONSA-N |
| InChI | InChI=1S/C34H38O13/c1-40-20-12-10-19(11-13-20)34-27(18-8-6-5-7-9-18)26(30(38)42-3)29(37)33(34,39)28-23(41-2)14-21(15-24(28)47-34)45-32-31(43-4)44-17-25(46-32)22(36)16-35/h5-15,22,25-27,29,31-32,35-37,39H,16-17H2,1-4H3/t22-,25+,26+,27+,29+,31-,32+,33-,34-/m0/s1 |
| SMILES | COC(=O)[C@H]1[C@@H](O)[C@@]2(O)C3=C(C=C(O[C@@H]4O[C@@H]([C@@H](O)CO)CO[C@@H]4OC)C=C3OC)O[C@@]2(C2=CC=C(OC)C=C2)[C@@H]1C1=CC=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C34H38O13/c1-40-20-12-10-19(11-13-20)34-27(18-8-6-5-7-9-18)26(30(38)42-3)29(37)33(34,39)28-23(41-2)14-21(15-24(28)47-34)45-32-31(43-4)44-17-25(46-32)22(36)16-35/h5-15,22,25-27,29,31-32,35-37,39H,16-17H2,1-4H3/t22-,25+,26+,27+,29+,31-,32+,33-,34-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][O:40][C:20]1=[CH:13][CH:11]=[C:19]([C@:34]23[C@H:27]([C:18]4=[CH:8][CH:6]=[CH:5][CH:7]=[CH:9]4)[C@@H:26]([C:30](=[O:38])[O:42][CH3:3])[C@@H:29]([OH:37])[C@@:33]2([OH:39])[C:28]2=[C:23]([O:41][CH3:2])[CH:14]=[C:21]([O:45][C@H:32]4[C@@H:31]([O:43][CH3:4])[O:44][CH2:17][C@H:25]([C@H:22]([CH2:16][OH:35])[OH:36])[O:46]4)[CH:15]=[C:24]2[O:47]3)[CH:10]=[CH:12]1 |
|