| Properties | Image |
|---|
| MNX_ID | MNXM105141 |
 |
| reference | chebi:69815 |
| formula | C28H40O11 |
| global charge | 0 |
| mol weight | 552.617 |
| InChIKey | JMDGBSYRPFFZBO-WHDWRCRCSA-N |
| InChI | InChI=1S/C28H40O11/c1-12-6-18-26(35,23(12)34)9-15(11-37-24-21(33)20(32)19(31)17(10-29)38-24)7-16-22-25(4,5)27(22,39-14(3)30)8-13(2)28(16,18)36/h6-7,13,16-22,24,29,31-33,35-36H,8-11H2,1-5H3/t13-,16+,17-,18-,19-,20+,21-,22-,24-,26-,27+,28-/m1/s1 |
| SMILES | CC(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1C2(C)C |
MNX internals
| InChI (mnx) | InChI=1/C28H40O11/c1-12-6-18-26(35,23(12)34)9-15(11-37-24-21(33)20(32)19(31)17(10-29)38-24)7-16-22-25(4,5)27(22,39-14(3)30)8-13(2)28(16,18)36/h6-7,13,16-22,24,29,31-33,35-36H,8-11H2,1-5H3/t13-,16+,17-,18-,19-,20+,21-,22-,24-,26-,27+,28-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:12]1=[CH:6][C@@H:18]2[C@:26]([OH:35])([CH2:9][C:15]([CH2:11][O:37][C@H:24]3[C@H:21]([OH:33])[C@@H:20]([OH:32])[C@H:19]([OH:31])[C@@H:17]([CH2:10][OH:29])[O:38]3)=[CH:7][C@H:16]3[C@@H:22]4[C:25]([CH3:4])([CH3:5])[C@:27]4([O:39][C:14]([CH3:3])=[O:30])[CH2:8][C@@H:13]([CH3:2])[C@@:28]32[OH:36])[C:23]1=[O:34] |
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