| Properties | Image |
|---|
| MNX_ID | MNXM1196238 |
 |
| reference | envipathM:...fd508622782e |
| formula | C35H56O15 |
| global charge | 0 |
| mol weight | 716.818 |
| InChIKey | QYODCQCNIWAATC-GELARSGXSA-N |
| InChI | InChI=1S/C35H56O15/c1-11-23-35(9,44)29(41)21(15-36)25(38)16(2)13-33(7,43)30(50-32-26(39)22(37)12-17(3)46-32)18(4)27(19(5)31(42)48-23)49-24-14-34(8,45-10)28(40)20(6)47-24/h16-21,23-24,26-27,30,32,36,39,43-44H,11-15H2,1-10H3/t16-,17-,18+,19-,20+,21+,23-,24+,26-,27+,30-,32+,33-,34-,35-/m1/s1 |
| SMILES | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C(=O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)CC(=O)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](CO)C(=O)[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C35H56O15/c1-11-23-35(9,44)29(41)21(15-36)25(38)16(2)13-33(7,43)30(50-32-26(39)22(37)12-17(3)46-32)18(4)27(19(5)31(42)48-23)49-24-14-34(8,45-10)28(40)20(6)47-24/h16-21,23-24,26-27,30,32,36,39,43-44H,11-15H2,1-10H3/t16-,17-,18+,19-,20+,21+,23-,24+,26-,27+,30-,32+,33-,34-,35-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:11][C@@H:23]1[C@@:35]([CH3:9])([OH:44])[C:29](=[O:41])[C@@H:21]([CH2:15][OH:36])[C:25](=[O:38])[C@H:16]([CH3:2])[CH2:13][C@@:33]([CH3:7])([OH:43])[C@H:30]([O:50][C@H:32]2[C@H:26]([OH:39])[C:22](=[O:37])[CH2:12][C@@H:17]([CH3:3])[O:46]2)[C@@H:18]([CH3:4])[C@H:27]([O:49][C@H:24]2[CH2:14][C@@:34]([CH3:8])([O:45][CH3:10])[C:28](=[O:40])[C@H:20]([CH3:6])[O:47]2)[C@@H:19]([CH3:5])[C:31](=[O:42])[O:48]1 |
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