| Properties | Image |
|---|
| MNX_ID | MNXM726322 |
 |
| reference | chebi:67986 |
| formula | C42H72O14 |
| global charge | 0 |
| mol weight | 801.024 |
| InChIKey | UZIOUZHBUYLDHW-XUBRWZAZSA-N |
| InChI | InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,52)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-37-34(32(50)30(48)25(19-44)55-37)56-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,37+,39+,40+,41+,42-/m0/s1 |
| SMILES | CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C42H72O14/c1-20(2)10-9-13-42(8,52)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-37-34(32(50)30(48)25(19-44)55-37)56-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,37+,39+,40+,41+,42-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:20]([CH3:2])=[CH:10][CH2:9][CH2:13][C@@:42]([CH3:8])([C@H:21]1[CH2:11][CH2:15][C@:40]2([CH3:6])[C@@H:28]1[C@H:22]([OH:45])[CH2:16][C@@H:26]1[C@@:39]3([CH3:5])[CH2:14][CH2:12][C@H:27]([OH:46])[C:38]([CH3:3])([CH3:4])[C@@H:35]3[C@@H:23]([O:53][C@H:37]3[C@H:34]([O:56][C@H:36]4[C@H:33]([OH:51])[C@@H:31]([OH:49])[C@H:29]([OH:47])[C@@H:24]([CH2:18][OH:43])[O:54]4)[C@@H:32]([OH:50])[C@H:30]([OH:48])[C@@H:25]([CH2:19][OH:44])[O:55]3)[CH2:17][C@:41]12[CH3:7])[OH:52] |
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