| Properties | Image |
|---|
| MNX_ID | MNXM103806 |
 |
| reference | chebi:65622 |
| formula | C45H72O18 |
| global charge | 0 |
| mol weight | 901.053 |
| InChIKey | FOCIGGVGHNGKRW-SWPAXGJUSA-N |
| InChI | InChI=1S/C45H72O18/c1-20(2)7-10-28(48)21(3)45(56)32(62-42-39(59-22(4)47)38(30(50)19-58-42)63-40-36(54)33(51)29(49)18-57-40)16-27-25-9-8-23-15-24(11-13-43(23,5)26(25)12-14-44(27,45)6)60-41-37(55)35(53)34(52)31(17-46)61-41/h8,20-21,24-27,29-42,46,49-56H,7,9-19H2,1-6H3/t21-,24-,25+,26-,27-,29+,30-,31+,32-,33-,34+,35-,36+,37+,38-,39+,40-,41+,42-,43-,44-,45+/m0/s1 |
| SMILES | CC(=O)O[C@H]1[C@H](O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]2(O)[C@@H](C)C(=O)CCC(C)C)OC[C@H](O)[C@@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C45H72O18/c1-20(2)7-10-28(48)21(3)45(56)32(62-42-39(59-22(4)47)38(30(50)19-58-42)63-40-36(54)33(51)29(49)18-57-40)16-27-25-9-8-23-15-24(11-13-43(23,5)26(25)12-14-44(27,45)6)60-41-37(55)35(53)34(52)31(17-46)61-41/h8,20-21,24-27,29-42,46,49-56H,7,9-19H2,1-6H3/t21-,24-,25+,26-,27-,29+,30-,31+,32-,33-,34+,35-,36+,37+,38-,39+,40-,41+,42-,43-,44-,45+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:20]([CH3:2])[CH2:7][CH2:10][C:28]([C@H:21]([CH3:3])[C@@:45]1([OH:56])[C@@H:32]([O:62][C@H:42]2[C@H:39]([O:59][C:22]([CH3:4])=[O:47])[C@@H:38]([O:63][C@H:40]3[C@H:36]([OH:54])[C@@H:33]([OH:51])[C@H:29]([OH:49])[CH2:18][O:57]3)[C@@H:30]([OH:50])[CH2:19][O:58]2)[CH2:16][C@H:27]2[C@@H:25]3[CH2:9][CH:8]=[C:23]4[CH2:15][C@@H:24]([O:60][C@H:41]5[C@H:37]([OH:55])[C@@H:35]([OH:53])[C@H:34]([OH:52])[C@@H:31]([CH2:17][OH:46])[O:61]5)[CH2:11][CH2:13][C@:43]4([CH3:5])[C@H:26]3[CH2:12][CH2:14][C@@:44]21[CH3:6])=[O:48] |
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