| Properties | Image |
|---|
| MNX_ID | MNXM104283 |
 |
| reference | chebi:68372 |
| formula | C32H40O9 |
| global charge | 0 |
| mol weight | 568.663 |
| InChIKey | CSGNJWXBCURRAQ-YEEVHOMBSA-N |
| InChI | InChI=1S/C32H40O9/c1-8-17(2)26(35)41-28-29(3,4)22(14-23(33)38-7)31(6)20-9-11-30(5)21(19(20)15-32(28,37)27(31)36)13-24(34)40-25(30)18-10-12-39-16-18/h8,10,12,16,20,22,25,28,37H,9,11,13-15H2,1-7H3/b17-8+/t20-,22-,25-,28-,30+,31+,32-/m0/s1 |
| SMILES | C/C=C(\C)C(=O)O[C@H]1C(C)(C)[C@H](CC(=O)OC)[C@]2(C)C(=O)[C@@]1(O)CC1=C3CC(=O)O[C@@H](C4=COC=C4)[C@]3(C)CC[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C32H40O9/c1-8-17(2)26(35)41-28-29(3,4)22(14-23(33)38-7)31(6)20-9-11-30(5)21(19(20)15-32(28,37)27(31)36)13-24(34)40-25(30)18-10-12-39-16-18/h8,10,12,16,20,22,25,28,37H,9,11,13-15H2,1-7H3/b17-8+/t20-,22-,25-,28-,30+,31+,32-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:8]=[C:17](\[CH3:2])[C:26](=[O:35])[O:41][C@H:28]1[C:29]([CH3:3])([CH3:4])[C@H:22]([CH2:14][C:23](=[O:33])[O:38][CH3:7])[C@@:31]2([CH3:6])[C@H:20]3[CH2:9][CH2:11][C@:30]4([CH3:5])[C:21](=[C:19]3[CH2:15][C@:32]1([OH:37])[C:27]2=[O:36])[CH2:13][C:24](=[O:34])[O:40][C@H:25]4[C:18]1=[CH:16][O:39][CH:12]=[CH:10]1 |
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