| Properties | Image |
|---|
| MNX_ID | MNXM100933 |
 |
| reference | chebi:68911 |
| formula | C37H56O13 |
| global charge | 0 |
| mol weight | 708.842 |
| InChIKey | VFYMEDSYUASGPF-WLPFVFARSA-N |
| InChI | InChI=1S/C37H56O13/c1-32(2)17-10-11-22-34(5)14-19(39)29(37(8,47)23(40)13-25(48-9)33(3,4)46)35(34,6)15-24(41)36(22,7)18(17)12-20(30(32)45)49-31-28(44)27(43)26(42)21(16-38)50-31/h10,12,18-19,21-22,25-29,31,38-39,42-44,46-47H,11,13-16H2,1-9H3/t18-,19-,21-,22+,25+,26-,27+,28-,29+,31-,34+,35-,36+,37+/m1/s1 |
| SMILES | CO[C@@H](CC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C)C(C)(C)O |
MNX internals
| InChI (mnx) | InChI=1/C37H56O13/c1-32(2)17-10-11-22-34(5)14-19(39)29(37(8,47)23(40)13-25(48-9)33(3,4)46)35(34,6)15-24(41)36(22,7)18(17)12-20(30(32)45)49-31-28(44)27(43)26(42)21(16-38)50-31/h10,12,18-19,21-22,25-29,31,38-39,42-44,46-47H,11,13-16H2,1-9H3/t18-,19-,21-,22+,25+,26-,27+,28-,29+,31-,34+,35-,36+,37+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:32]1([CH3:2])[C:17]2=[CH:10][CH2:11][C@H:22]3[C@:34]4([CH3:5])[CH2:14][C@@H:19]([OH:39])[C@H:29]([C@:37]([CH3:8])([C:23]([CH2:13][C@@H:25]([C:33]([CH3:3])([CH3:4])[OH:46])[O:48][CH3:9])=[O:40])[OH:47])[C@@:35]4([CH3:6])[CH2:15][C:24](=[O:41])[C@@:36]3([CH3:7])[C@@H:18]2[CH:12]=[C:20]([O:49][C@H:31]2[C@H:28]([OH:44])[C@@H:27]([OH:43])[C@H:26]([OH:42])[C@@H:21]([CH2:16][OH:38])[O:50]2)[C:30]1=[O:45] |
|