| Properties | Image |
|---|
| MNX_ID | MNXM103738 |
 |
| reference | chebi:67976 |
| formula | C48H76O18 |
| global charge | 0 |
| mol weight | 941.118 |
| InChIKey | WJHDDPVZYYTSCO-ZXTQJPCGSA-N |
| InChI | InChI=1S/C48H76O18/c1-43(2)15-17-48(42(59)66-40-34(56)31(53)29(51)24(20-49)62-40)18-16-46(6)22(23(48)19-43)9-10-27-45(5)13-12-28(44(3,4)26(45)11-14-47(27,46)7)63-41-35(57)32(54)36(37(65-41)38(58)60-8)64-39-33(55)30(52)25(21-50)61-39/h9,23-37,39-41,49-57H,10-21H2,1-8H3/t23-,24+,25-,26-,27+,28-,29+,30-,31-,32+,33+,34+,35+,36-,37-,39-,40-,41+,45-,46+,47+,48-/m0/s1 |
| SMILES | COC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C48H76O18/c1-43(2)15-17-48(42(59)66-40-34(56)31(53)29(51)24(20-49)62-40)18-16-46(6)22(23(48)19-43)9-10-27-45(5)13-12-28(44(3,4)26(45)11-14-47(27,46)7)63-41-35(57)32(54)36(37(65-41)38(58)60-8)64-39-33(55)30(52)25(21-50)61-39/h9,23-37,39-41,49-57H,10-21H2,1-8H3/t23-,24+,25-,26-,27+,28-,29+,30-,31-,32+,33+,34+,35+,36-,37-,39-,40-,41+,45-,46+,47+,48-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:43]1([CH3:2])[CH2:15][CH2:17][C@:48]2([C:42](=[O:59])[O:66][C@H:40]3[C@H:34]([OH:56])[C@@H:31]([OH:53])[C@H:29]([OH:51])[C@@H:24]([CH2:20][OH:49])[O:62]3)[CH2:18][CH2:16][C@:46]3([CH3:6])[C:22](=[CH:9][CH2:10][C@@H:27]4[C@@:45]5([CH3:5])[CH2:13][CH2:12][C@H:28]([O:63][C@H:41]6[C@H:35]([OH:57])[C@@H:32]([OH:54])[C@H:36]([O:64][C@H:39]7[C@H:33]([OH:55])[C@@H:30]([OH:52])[C@H:25]([CH2:21][OH:50])[O:61]7)[C@@H:37]([C:38](=[O:58])[O:60][CH3:8])[O:65]6)[C:44]([CH3:3])([CH3:4])[C@@H:26]5[CH2:11][CH2:14][C@:47]43[CH3:7])[C@@H:23]2[CH2:19]1 |
|