| Properties | Image |
|---|
| MNX_ID | MNXM102417 |
 |
| reference | chebi:69862 |
| formula | C34H49ClO11 |
| global charge | 0 |
| mol weight | 669.208 |
| InChIKey | FSGBQFACPORIQG-FKSBINAYSA-N |
| InChI | InChI=1S/C34H49ClO11/c1-9-19(3)30(39)45-25-11-12-33(41,17-35)34(18-43-22(6)36)27(44-23(7)37)13-21(5)32(8,29(25)34)15-26(24-14-28(38)42-16-24)46-31(40)20(4)10-2/h9,14,20-21,25-27,29,41H,10-13,15-18H2,1-8H3/b19-9+/t20-,21+,25+,26-,27-,29+,32-,33-,34+/m0/s1 |
| SMILES | C/C=C(\C)C(=O)O[C@@H]1CC[C@](O)(CCl)[C@]2(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](OC(=O)[C@@H](C)CC)C3=CC(=O)OC3)[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C34H49ClO11/c1-9-19(3)30(39)45-25-11-12-33(41,17-35)34(18-43-22(6)36)27(44-23(7)37)13-21(5)32(8,29(25)34)15-26(24-14-28(38)42-16-24)46-31(40)20(4)10-2/h9,14,20-21,25-27,29,41H,10-13,15-18H2,1-8H3/b19-9+/t20-,21+,25+,26-,27-,29+,32-,33-,34+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:9]=[C:19](\[CH3:3])[C:30](=[O:39])[O:45][C@@H:25]1[CH2:11][CH2:12][C@@:33]([CH2:17][Cl:35])([OH:41])[C@:34]2([CH2:18][O:43][C:22]([CH3:6])=[O:36])[C@@H:27]([O:44][C:23]([CH3:7])=[O:37])[CH2:13][C@@H:21]([CH3:5])[C@:32]([CH3:8])([CH2:15][C@@H:26]([C:24]3=[CH:14][C:28](=[O:38])[O:42][CH2:16]3)[O:46][C:31]([C@@H:20]([CH3:4])[CH2:10][CH3:2])=[O:40])[C@@H:29]12 |
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