| Properties | Image |
|---|
| MNX_ID | MNXM103294 |
 |
| reference | chebi:65528 |
| formula | C28H36O11 |
| global charge | 0 |
| mol weight | 548.585 |
| InChIKey | PCKQDAAUYVCTJJ-XYGKKIDYSA-N |
| InChI | InChI=1S/C28H36O11/c1-11(2)12(3)8-17(30)39-19-21-27-10-37-28(21,25(35)36-6)23(33)18(31)20(27)26(5)14(9-16(27)38-24(19)34)13(4)7-15(29)22(26)32/h7-8,11,13-14,16,18-21,23,29,31,33H,9-10H2,1-6H3/b12-8+/t13-,14+,16-,18-,19-,20-,21-,23+,26+,27-,28+/m1/s1 |
| SMILES | COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)C(=O)C(O)=C[C@@H](C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)/C=C(\C)C(C)C)[C@@H]24 |
MNX internals
| InChI (mnx) | InChI=1/C28H36O11/c1-11(2)12(3)8-17(30)39-19-21-27-10-37-28(21,25(35)36-6)23(33)18(31)20(27)26(5)14(9-16(27)38-24(19)34)13(4)7-15(29)22(26)32/h7-8,11,13-14,16,18-21,23,29,31,33H,9-10H2,1-6H3/b12-8+/t13-,14+,16-,18-,19-,20-,21-,23+,26+,27-,28+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:11]([CH3:2])/[C:12]([CH3:3])=[CH:8]/[C:17](=[O:30])[O:39][C@@H:19]1[C@@H:21]2[C@@:27]34[CH2:10][O:37][C@:28]2([C:25](=[O:35])[O:36][CH3:6])[C@@H:23]([OH:33])[C@H:18]([OH:31])[C@@H:20]3[C@:26]2([CH3:5])[C@@H:14]([CH2:9][C@H:16]4[O:38][C:24]1=[O:34])[C@H:13]([CH3:4])[CH:7]=[C:15]([OH:29])[C:22]2=[O:32] |
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