| Properties | Image |
|---|
| MNX_ID | MNXM108608 |
 |
| reference | chebi:68371 |
| formula | C32H40O10 |
| global charge | 0 |
| mol weight | 584.662 |
| InChIKey | RHNVFPUACKXTEQ-DEBVYSQHSA-N |
| InChI | InChI=1S/C32H40O10/c1-8-16(2)24(35)41-26-28(3,4)19(13-21(33)38-7)30(6)18-9-11-29(5)20(32(18)27(42-32)31(26,37)25(30)36)14-22(34)40-23(29)17-10-12-39-15-17/h8,10,12,15,18-20,23,26-27,37H,9,11,13-14H2,1-7H3/b16-8+/t18-,19+,20-,23+,26+,27-,29-,30-,31+,32-/m1/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)[C@H]1O[C@]13[C@@H]1CC(=O)O[C@@H](C4=COC=C4)[C@]1(C)CC[C@H]23 |
MNX internals
| InChI (mnx) | InChI=1/C32H40O10/c1-8-16(2)24(35)41-26-28(3,4)19(13-21(33)38-7)30(6)18-9-11-29(5)20(32(18)27(42-32)31(26,37)25(30)36)14-22(34)40-23(29)17-10-12-39-15-17/h8,10,12,15,18-20,23,26-27,37H,9,11,13-14H2,1-7H3/b16-8+/t18-,19+,20-,23+,26+,27-,29-,30-,31+,32-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:8]=[C:16](\[CH3:2])[C:24](=[O:35])[O:41][C@H:26]1[C:28]([CH3:3])([CH3:4])[C@H:19]([CH2:13][C:21](=[O:33])[O:38][CH3:7])[C@@:30]2([CH3:6])[C@H:18]3[CH2:9][CH2:11][C@:29]4([CH3:5])[C@@H:20]([CH2:14][C:22](=[O:34])[O:40][C@H:23]4[C:17]4=[CH:15][O:39][CH:12]=[CH:10]4)[C@@:32]34[C@@H:27]([C@:31]1([OH:37])[C:25]2=[O:36])[O:42]4 |
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