| Properties | Image |
|---|
| MNX_ID | MNXM101464 |
 |
| reference | chebi:65855 |
| formula | C45H74O17 |
| global charge | 0 |
| mol weight | 887.07 |
| InChIKey | AJNYRTVTKHEZMG-BYMWGYRGSA-N |
| InChI | InChI=1S/C45H74O17/c1-18(2)13-27-31(48)19(3)30-26(58-27)15-25-23-8-7-21-14-22(9-11-44(21,5)24(23)10-12-45(25,30)6)57-42-39(36(53)33(50)28(16-46)59-42)62-43-40(37(54)34(51)29(17-47)60-43)61-41-38(55)35(52)32(49)20(4)56-41/h13,19-43,46-55H,7-12,14-17H2,1-6H3/t19-,20-,21+,22-,23+,24-,25-,26-,27-,28+,29+,30-,31+,32-,33+,34+,35+,36-,37-,38+,39+,40+,41-,42+,43-,44-,45-/m0/s1 |
| SMILES | CC(C)=C[C@@H]1O[C@H]2C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@H](C)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C45H74O17/c1-18(2)13-27-31(48)19(3)30-26(58-27)15-25-23-8-7-21-14-22(9-11-44(21,5)24(23)10-12-45(25,30)6)57-42-39(36(53)33(50)28(16-46)59-42)62-43-40(37(54)34(51)29(17-47)60-43)61-41-38(55)35(52)32(49)20(4)56-41/h13,19-43,46-55H,7-12,14-17H2,1-6H3/t19-,20-,21+,22-,23+,24-,25-,26-,27-,28+,29+,30-,31+,32-,33+,34+,35+,36-,37-,38+,39+,40+,41-,42+,43-,44-,45-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:18]([CH3:2])=[CH:13][C@H:27]1[C@H:31]([OH:48])[C@@H:19]([CH3:3])[C@H:30]2[C@H:26]([CH2:15][C@H:25]3[C@@H:23]4[CH2:8][CH2:7][C@@H:21]5[CH2:14][C@@H:22]([O:57][C@H:42]6[C@H:39]([O:62][C@H:43]7[C@H:40]([O:61][C@H:41]8[C@H:38]([OH:55])[C@H:35]([OH:52])[C@@H:32]([OH:49])[C@H:20]([CH3:4])[O:56]8)[C@@H:37]([OH:54])[C@H:34]([OH:51])[C@@H:29]([CH2:17][OH:47])[O:60]7)[C@@H:36]([OH:53])[C@H:33]([OH:50])[C@@H:28]([CH2:16][OH:46])[O:59]6)[CH2:9][CH2:11][C@:44]5([CH3:5])[C@H:24]4[CH2:10][CH2:12][C@@:45]32[CH3:6])[O:58]1 |
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