| Properties | Image |
|---|
| MNX_ID | MNXM108513 |
 |
| reference | chebi:67864 |
| formula | C29H40O8 |
| global charge | 0 |
| mol weight | 516.631 |
| InChIKey | WFWMFGZANWSYAM-RJTCIUCTSA-N |
| InChI | InChI=1S/C29H40O8/c1-9-15(4)25(33)36-13-26(8)22-20-21(30)17(6)11-27(34)19(10-16(5)23(27)31)29(20,35)18(7)12-28(22,26)37-24(32)14(2)3/h9-11,14,18-22,30,34-35H,12-13H2,1-8H3/b15-9-/t18-,19-,20+,21+,22-,26-,27-,28+,29+/m1/s1 |
| SMILES | C/C=C(/C)C(=O)OC[C@]1(C)[C@H]2[C@@H]3[C@@H](O)C(C)=C[C@]4(O)C(=O)C(C)=C[C@H]4[C@@]3(O)[C@H](C)C[C@]21OC(=O)C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C29H40O8/c1-9-15(4)25(33)36-13-26(8)22-20-21(30)17(6)11-27(34)19(10-16(5)23(27)31)29(20,35)18(7)12-28(22,26)37-24(32)14(2)3/h9-11,14,18-22,30,34-35H,12-13H2,1-8H3/b15-9-/t18-,19-,20+,21+,22-,26-,27-,28+,29+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:9]=[C:15](/[CH3:4])[C:25](=[O:33])[O:36][CH2:13][C@:26]1([CH3:8])[C@H:22]2[C@@H:20]3[C@@H:21]([OH:30])[C:17]([CH3:6])=[CH:11][C@@:27]4([OH:34])[C@@H:19]([CH:10]=[C:16]([CH3:5])[C:23]4=[O:31])[C@@:29]3([OH:35])[C@H:18]([CH3:7])[CH2:12][C@:28]21[O:37][C:24]([CH:14]([CH3:2])[CH3:3])=[O:32] |
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