| Properties | Image |
|---|
| MNX_ID | MNXM102435 |
 |
| reference | chebi:69877 |
| formula | C34H48O11 |
| global charge | 0 |
| mol weight | 632.747 |
| InChIKey | JTNPKPFJZRMAJE-FKSBINAYSA-N |
| InChI | InChI=1S/C34H48O11/c1-9-19(3)30(38)44-25-11-12-33(17-42-33)34(18-41-22(6)35)27(43-23(7)36)13-21(5)32(8,29(25)34)15-26(24-14-28(37)40-16-24)45-31(39)20(4)10-2/h9,14,20-21,25-27,29H,10-13,15-18H2,1-8H3/b19-9+/t20-,21+,25+,26-,27-,29+,32-,33-,34+/m0/s1 |
| SMILES | C/C=C(\C)C(=O)O[C@@H]1CC[C@]2(CO2)[C@]2(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](OC(=O)[C@@H](C)CC)C3=CC(=O)OC3)[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C34H48O11/c1-9-19(3)30(38)44-25-11-12-33(17-42-33)34(18-41-22(6)35)27(43-23(7)36)13-21(5)32(8,29(25)34)15-26(24-14-28(37)40-16-24)45-31(39)20(4)10-2/h9,14,20-21,25-27,29H,10-13,15-18H2,1-8H3/b19-9+/t20-,21+,25+,26-,27-,29+,32-,33-,34+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:9]=[C:19](\[CH3:3])[C:30](=[O:38])[O:44][C@@H:25]1[CH2:11][CH2:12][C@:33]2([CH2:17][O:42]2)[C@:34]2([CH2:18][O:41][C:22]([CH3:6])=[O:35])[C@@H:27]([O:43][C:23]([CH3:7])=[O:36])[CH2:13][C@@H:21]([CH3:5])[C@:32]([CH3:8])([CH2:15][C@@H:26]([C:24]3=[CH:14][C:28](=[O:37])[O:40][CH2:16]3)[O:45][C:31]([C@@H:20]([CH3:4])[CH2:10][CH3:2])=[O:39])[C@@H:29]12 |
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