| Properties | Image |
|---|
| MNX_ID | MNXM104123 |
 |
| reference | chebi:65692 |
| formula | C40H64O11 |
| global charge | 0 |
| mol weight | 720.941 |
| InChIKey | PVMHLUQSCKSBOW-AJQNEZDESA-N |
| InChI | InChI=1S/C40H64O11/c1-20(2)31(44)25(43)16-21(3)24-10-15-40-19-39(24,40)14-11-27-37(8)13-12-29(49-23(5)42)36(6,7)28(37)17-30(38(27,40)9)51-35-34(47)33(46)32(45)26(50-35)18-48-22(4)41/h21,24-35,43-47H,1,10-19H2,2-9H3/t21-,24-,25+,26+,27+,28-,29+,30+,31+,32+,33-,34+,35-,37+,38-,39+,40+/m0/s1 |
| SMILES | C=C(C)[C@@H](O)[C@H](O)C[C@H](C)[C@@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]2C[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@]13C |
MNX internals
| InChI (mnx) | InChI=1/C40H64O11/c1-20(2)31(44)25(43)16-21(3)24-10-15-40-19-39(24,40)14-11-27-37(8)13-12-29(49-23(5)42)36(6,7)28(37)17-30(38(27,40)9)51-35-34(47)33(46)32(45)26(50-35)18-48-22(4)41/h21,24-35,43-47H,1,10-19H2,2-9H3/t21-,24-,25+,26+,27+,28-,29+,30+,31+,32+,33-,34+,35-,37+,38-,39+,40+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:20]([CH3:2])[C@H:31]([C@@H:25]([CH2:16][C@H:21]([CH3:3])[C@@H:24]1[CH2:10][CH2:15][C@:40]23[CH2:19][C@:39]12[CH2:14][CH2:11][C@@H:27]1[C@@:37]2([CH3:8])[CH2:13][CH2:12][C@@H:29]([O:49][C:23]([CH3:5])=[O:42])[C:36]([CH3:6])([CH3:7])[C@@H:28]2[CH2:17][C@@H:30]([O:51][C@H:35]2[C@H:34]([OH:47])[C@@H:33]([OH:46])[C@H:32]([OH:45])[C@@H:26]([CH2:18][O:48][C:22]([CH3:4])=[O:41])[O:50]2)[C@:38]13[CH3:9])[OH:43])[OH:44] |
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