| Properties | Image |
|---|
| MNX_ID | MNXM113697 |
 |
| reference | chebi:69173 |
| formula | C34H36O9 |
| global charge | 0 |
| mol weight | 588.653 |
| InChIKey | VUPIVOZJYBEXBH-ZVENLHISSA-N |
| InChI | InChI=1S/C34H36O9/c1-17(2)32-25(39-28(36)20-12-8-6-9-13-20)19(4)33-22-16-18(3)24(35)31(22,38)29(37)30(5)26(40-30)23(33)27(32)41-34(42-32,43-33)21-14-10-7-11-15-21/h6-15,18-19,22-23,25-27,29,37-38H,1,16H2,2-5H3/t18-,19?,22+,23-,25-,26+,27+,29+,30+,31+,32-,33-,34?/m0/s1 |
| SMILES | C=C(C)[C@@]12OC3(C4=CC=CC=C4)O[C@@H]1[C@@H]1[C@H]4O[C@@]4(C)[C@@H](O)[C@]4(O)C(=O)[C@@H](C)C[C@H]4[C@@]1(O3)[C@H](C)[C@@H]2OC(=O)C1=CC=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C34H36O9/c1-17(2)32-25(39-28(36)20-12-8-6-9-13-20)19(4)33-22-16-18(3)24(35)31(22,38)29(37)30(5)26(40-30)23(33)27(32)41-34(42-32,43-33)21-14-10-7-11-15-21/h6-15,18-19,22-23,25-27,29,37-38H,1,16H2,2-5H3/t18-,19?,22+,23-,25-,26+,27+,29+,30+,31+,32-,33-,34?/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:17]([CH3:2])[C@:32]12[C@@H:25]([O:39][C:28]([C:20]3=[CH:12][CH:8]=[CH:6][CH:9]=[CH:13]3)=[O:36])[CH:19]([CH3:4])[C@:33]34[C@@H:22]5[CH2:16][C@H:18]([CH3:3])[C:24](=[O:35])[C@@:31]5([OH:38])[C@H:29]([OH:37])[C@@:30]5([CH3:5])[C@@H:26]([C@H:23]3[C@H:27]1[O:41][C:34]([C:21]1=[CH:14][CH:10]=[CH:7][CH:11]=[CH:15]1)([O:42]2)[O:43]4)[O:40]5 |
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