| Properties | Image |
|---|
| MNX_ID | MNXM103462 |
 |
| reference | chebi:68896 |
| formula | C50H86O23 |
| global charge | 0 |
| mol weight | 1055.215 |
| InChIKey | PEXGEFOIWGLTKE-CEAJFWEWSA-N |
| InChI | InChI=1S/C50H86O23/c1-8-10-16-19-29-20-17-14-12-11-13-15-18-21-32(54)68-43-39(69-45(61)24(3)9-2)35(57)30(22-51)66-49(43)71-40-36(58)31(23-52)67-50(72-42-38(60)34(56)27(6)63-47(42)65-29)44(40)73-48-41(37(59)33(55)28(7)64-48)70-46(62)25(4)26(5)53/h24-31,33-44,47-53,55-60H,8-23H2,1-7H3/t24-,25-,26-,27+,28-,29-,30+,31+,33-,34+,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,47-,48-,49-,50-/m0/s1 |
| SMILES | CCCCC[C@H]1CCCCCCCCCC(=O)O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O1)O[C@H](C)[C@@H](O)[C@@H]4O)[C@@H]3O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1OC(=O)[C@@H](C)[C@H](C)O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)[C@@H](C)CC |
MNX internals
| InChI (mnx) | InChI=1/C50H86O23/c1-8-10-16-19-29-20-17-14-12-11-13-15-18-21-32(54)68-43-39(69-45(61)24(3)9-2)35(57)30(22-51)66-49(43)71-40-36(58)31(23-52)67-50(72-42-38(60)34(56)27(6)63-47(42)65-29)44(40)73-48-41(37(59)33(55)28(7)64-48)70-46(62)25(4)26(5)53/h24-31,33-44,47-53,55-60H,8-23H2,1-7H3/t24-,25-,26-,27+,28-,29-,30+,31+,33-,34+,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,47-,48-,49-,50-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:8][CH2:10][CH2:16][CH2:19][C@H:29]1[CH2:20][CH2:17][CH2:14][CH2:12][CH2:11][CH2:13][CH2:15][CH2:18][CH2:21][C:32](=[O:54])[O:68][C@@H:43]2[C@@H:39]([O:69][C:45]([C@@H:24]([CH3:3])[CH2:9][CH3:2])=[O:61])[C@H:35]([OH:57])[C@@H:30]([CH2:22][OH:51])[O:66][C@H:49]2[O:71][C@H:40]2[C@H:36]([OH:58])[C@@H:31]([CH2:23][OH:52])[O:67][C@H:50]([C@@H:44]2[O:73][C@H:48]2[C@H:41]([O:70][C:46]([C@@H:25]([CH3:4])[C@H:26]([CH3:5])[OH:53])=[O:62])[C@H:37]([OH:59])[C@@H:33]([OH:55])[C@H:28]([CH3:7])[O:64]2)[O:72][C@@H:42]2[C@@H:38]([OH:60])[C@H:34]([OH:56])[C@@H:27]([CH3:6])[O:63][C@H:47]2[O:65]1 |
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