| Properties | Image |
|---|
| MNX_ID | MNXM105344 |
 |
| reference | chebi:68213 |
| formula | C33H43ClO15 |
| global charge | 0 |
| mol weight | 715.145 |
| InChIKey | JDAZPYNSXYPAGN-IGYAXIRDSA-N |
| InChI | InChI=1S/C33H43ClO15/c1-14(2)11-21(39)48-28-24(44-17(5)36)27(45-18(6)37)31(8)20(47-22(40)12-35)10-9-15(3)23(34)26-33(42,16(4)30(41)49-26)29(46-19(7)38)25(31)32(28)13-43-32/h9-10,14,16,20,23-29,35,42H,3,11-13H2,1-2,4-8H3/b10-9-/t16-,20-,23-,24+,25+,26-,27-,28+,29-,31+,32-,33-/m0/s1 |
| SMILES | C=C1/C=C\[C@H](OC(=O)CO)[C@@]2(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(=O)CC(C)C)[C@]3(CO3)[C@@H]2[C@H](OC(C)=O)[C@]2(O)[C@@H](C)C(=O)O[C@H]2[C@H]1Cl |
MNX internals
| InChI (mnx) | InChI=1/C33H43ClO15/c1-14(2)11-21(39)48-28-24(44-17(5)36)27(45-18(6)37)31(8)20(47-22(40)12-35)10-9-15(3)23(34)26-33(42,16(4)30(41)49-26)29(46-19(7)38)25(31)32(28)13-43-32/h9-10,14,16,20,23-29,35,42H,3,11-13H2,1-2,4-8H3/b10-9-/t16-,20-,23-,24+,25+,26-,27-,28+,29-,31+,32-,33-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:14]([CH3:2])[CH2:11][C:21](=[O:39])[O:48][C@@H:28]1[C@H:24]([O:44][C:17]([CH3:5])=[O:36])[C@H:27]([O:45][C:18]([CH3:6])=[O:37])[C@:31]2([CH3:8])[C@@H:20]([O:47][C:22]([CH2:12][OH:35])=[O:40])/[CH:10]=[CH:9]\[C:15](=[CH2:3])[C@H:23]([Cl:34])[C@H:26]3[C@@:33]([OH:42])([C@@H:16]([CH3:4])[C:30](=[O:41])[O:49]3)[C@@H:29]([O:46][C:19]([CH3:7])=[O:38])[C@H:25]2[C@@:32]12[CH2:13][O:43]2 |
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