| Properties | Image |
|---|
| MNX_ID | MNXM103757 |
 |
| reference | chebi:69779 |
| formula | C41H48O14 |
| global charge | 0 |
| mol weight | 764.821 |
| InChIKey | BZYXGNOWZQQMDJ-JGJIUCFZSA-N |
| InChI | InChI=1S/C41H48O14/c1-17(14-42)9-30(45)54-16-40(50)25-12-24(25)38(3)26(40)13-23-21(15-53-29(44)8-7-28(43)51-5)37(49)55-41(23)27(38)11-20-19-10-22(19)39(4)32(20)33(41)31(34(46)35(39)47)18(2)36(48)52-6/h9,19,22,24-27,33,35,42,47,50H,7-8,10-16H2,1-6H3/b17-9+,31-18-/t19-,22-,24-,25+,26-,27+,33+,35+,38+,39+,40+,41+/m1/s1 |
| SMILES | COC(=O)CCC(=O)OCC1=C2C[C@H]3[C@](O)(COC(=O)/C=C(\C)CO)[C@H]4C[C@H]4[C@]3(C)[C@@H]3CC4=C5[C@H](/C(=C(\C)C(=O)OC)C(=O)[C@H](O)[C@@]5(C)[C@@H]5C[C@H]45)[C@]23OC1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H48O14/c1-17(14-42)9-30(45)54-16-40(50)25-12-24(25)38(3)26(40)13-23-21(15-53-29(44)8-7-28(43)51-5)37(49)55-41(23)27(38)11-20-19-10-22(19)39(4)32(20)33(41)31(34(46)35(39)47)18(2)36(48)52-6/h9,19,22,24-27,33,35,42,47,50H,7-8,10-16H2,1-6H3/b17-9+,31-18-/t19-,22-,24-,25+,26-,27+,33+,35+,38+,39+,40+,41+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1]/[C:17](=[CH:9]\[C:30](=[O:45])[O:54][CH2:16][C@:40]1([OH:50])[C@H:25]2[CH2:12][C@H:24]2[C@@:38]2([CH3:3])[C@H:26]1[CH2:13][C:23]1=[C:21]([CH2:15][O:53][C:29]([CH2:8][CH2:7][C:28](=[O:43])[O:51][CH3:5])=[O:44])[C:37](=[O:49])[O:55][C@:41]13[C@H:27]2[CH2:11][C:20]1=[C:32]2[C@@H:33]3/[C:31](=[C:18](\[CH3:2])[C:36](=[O:48])[O:52][CH3:6])[C:34](=[O:46])[C@H:35]([OH:47])[C@@:39]2([CH3:4])[C@@H:22]2[CH2:10][C@H:19]12)[CH2:14][OH:42] |
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