| Properties | Image |
|---|
| MNX_ID | MNXM102416 |
 |
| reference | chebi:69861 |
| formula | C31H45ClO11 |
| global charge | 0 |
| mol weight | 629.143 |
| InChIKey | LMCZPZLFURXAIA-JKZOSZDYSA-N |
| InChI | InChI=1S/C31H45ClO11/c1-8-17(2)28(37)43-24(22-12-26(36)39-14-22)13-29(7)18(3)11-25(42-21(6)35)31(16-40-19(4)33)27(29)23(41-20(5)34)9-10-30(31,38)15-32/h12,17-18,23-25,27,38H,8-11,13-16H2,1-7H3/t17-,18+,23+,24-,25-,27+,29-,30-,31+/m0/s1 |
| SMILES | CC[C@H](C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1[C@H](OC(C)=O)CC[C@]2(O)CCl)C1=CC(=O)OC1 |
MNX internals
| InChI (mnx) | InChI=1/C31H45ClO11/c1-8-17(2)28(37)43-24(22-12-26(36)39-14-22)13-29(7)18(3)11-25(42-21(6)35)31(16-40-19(4)33)27(29)23(41-20(5)34)9-10-30(31,38)15-32/h12,17-18,23-25,27,38H,8-11,13-16H2,1-7H3/t17-,18+,23+,24-,25-,27+,29-,30-,31+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:8][C@H:17]([CH3:2])[C:28](=[O:37])[O:43][C@@H:24]([CH2:13][C@@:29]1([CH3:7])[C@H:18]([CH3:3])[CH2:11][C@H:25]([O:42][C:21]([CH3:6])=[O:35])[C@:31]2([CH2:16][O:40][C:19]([CH3:4])=[O:33])[C@@H:27]1[C@H:23]([O:41][C:20]([CH3:5])=[O:34])[CH2:9][CH2:10][C@@:30]2([CH2:15][Cl:32])[OH:38])[C:22]1=[CH:12][C:26](=[O:36])[O:39][CH2:14]1 |
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