| Properties | Image |
|---|
| MNX_ID | MNXM105345 |
 |
| reference | chebi:68214 |
| formula | C38H51ClO16 |
| global charge | 0 |
| mol weight | 799.263 |
| InChIKey | YISWRMKMJWQNKQ-JEFMCZGRSA-N |
| InChI | InChI=1S/C38H51ClO16/c1-17(2)13-25(43)48-15-27(45)53-24-12-11-19(5)28(39)31-38(47,20(6)35(46)55-31)34(52-23(9)42)30-36(24,10)32(51-22(8)41)29(50-21(7)40)33(37(30)16-49-37)54-26(44)14-18(3)4/h11-12,17-18,20,24,28-34,47H,5,13-16H2,1-4,6-10H3/b12-11-/t20-,24+,28-,29+,30+,31-,32-,33+,34-,36+,37-,38-/m0/s1 |
| SMILES | C=C1/C=C\[C@@H](OC(=O)COC(=O)CC(C)C)[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/C38H51ClO16/c1-17(2)13-25(43)48-15-27(45)53-24-12-11-19(5)28(39)31-38(47,20(6)35(46)55-31)34(52-23(9)42)30-36(24,10)32(51-22(8)41)29(50-21(7)40)33(37(30)16-49-37)54-26(44)14-18(3)4/h11-12,17-18,20,24,28-34,47H,5,13-16H2,1-4,6-10H3/b12-11-/t20-,24+,28-,29+,30+,31-,32-,33+,34-,36+,37-,38-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:17]([CH3:2])[CH2:13][C:25](=[O:43])[O:48][CH2:15][C:27](=[O:45])[O:53][C@@H:24]1/[CH:12]=[CH:11]\[C:19](=[CH2:5])[C@H:28]([Cl:39])[C@H:31]2[C@@:38]([OH:47])([C@@H:20]([CH3:6])[C:35](=[O:46])[O:55]2)[C@@H:34]([O:52][C:23]([CH3:9])=[O:42])[C@@H:30]2[C@:36]1([CH3:10])[C@@H:32]([O:51][C:22]([CH3:8])=[O:41])[C@@H:29]([O:50][C:21]([CH3:7])=[O:40])[C@@H:33]([O:54][C:26]([CH2:14][CH:18]([CH3:3])[CH3:4])=[O:44])[C@:37]21[CH2:16][O:49]1 |
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