| Properties | Image |
|---|
| MNX_ID | MNXM105701 |
 |
| reference | chebi:67762 |
| formula | C29H40O8 |
| global charge | 0 |
| mol weight | 516.631 |
| InChIKey | UPWQUNLKHQUUMH-ZKFBBMPRSA-N |
| InChI | InChI=1S/C29H40O8/c1-7-9-16-12-28(34)14-20(26(3,4)32)36-24(28)18(22(16)30)11-19-23(31)17(10-8-2)13-29(35)15-21(27(5,6)33)37-25(19)29/h7-8,16-17,20-21,32-35H,1-2,9-15H2,3-6H3/t16-,17-,20+,21+,28-,29-/m0/s1 |
| SMILES | C=CC[C@H]1C[C@]2(O)C[C@H](C(C)(C)O)OC2=C(CC2=C3O[C@@H](C(C)(C)O)C[C@@]3(O)C[C@H](CC=C)C2=O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C29H40O8/c1-7-9-16-12-28(34)14-20(26(3,4)32)36-24(28)18(22(16)30)11-19-23(31)17(10-8-2)13-29(35)15-21(27(5,6)33)37-25(19)29/h7-8,16-17,20-21,32-35H,1-2,9-15H2,3-6H3/t16-,17-,20+,21+,28-,29-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[CH:7][CH2:9][C@H:16]1[CH2:12][C@:28]2([OH:34])[CH2:14][C@H:20]([C:26]([CH3:3])([CH3:4])[OH:32])[O:36][C:24]2=[C:18]([CH2:11][C:19]2=[C:25]3[C@:29]([OH:35])([CH2:13][C@H:17]([CH2:10][CH:8]=[CH2:2])[C:23]2=[O:31])[CH2:15][C@H:21]([C:27]([CH3:5])([CH3:6])[OH:33])[O:37]3)[C:22]1=[O:30] |
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