| Properties | Image |
|---|
| MNX_ID | MNXM105969 |
 |
| reference | chebi:68951 |
| formula | C26H39ClO9 |
| global charge | 0 |
| mol weight | 531.042 |
| InChIKey | OMJLKRAICPGFIA-YTOFRUTFSA-N |
| InChI | InChI=1S/C26H39ClO9/c1-12(2)19-20-21(26(32,11-27)24(34-15(5)29)22(19)33-14(4)28)18-10-13(3)17(31)8-9-25(7,23(20)35-18)36-16(6)30/h12-13,18-24,32H,8-11H2,1-7H3/t13-,18-,19-,20-,21-,22+,23-,24+,25-,26-/m1/s1 |
| SMILES | CC(=O)O[C@H]1[C@H](C(C)C)[C@@H]2[C@@H]([C@H]3C[C@@H](C)C(=O)CC[C@@](C)(OC(C)=O)[C@@H]2O3)[C@](O)(CCl)[C@H]1OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C26H39ClO9/c1-12(2)19-20-21(26(32,11-27)24(34-15(5)29)22(19)33-14(4)28)18-10-13(3)17(31)8-9-25(7,23(20)35-18)36-16(6)30/h12-13,18-24,32H,8-11H2,1-7H3/t13-,18-,19-,20-,21-,22+,23-,24+,25-,26-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:12]([CH3:2])[C@@H:19]1[C@@H:20]2[C@@H:21]([C@H:18]3[CH2:10][C@@H:13]([CH3:3])[C:17](=[O:31])[CH2:8][CH2:9][C@@:25]([CH3:7])([O:36][C:16]([CH3:6])=[O:30])[C@@H:23]2[O:35]3)[C@@:26]([CH2:11][Cl:27])([OH:32])[C@@H:24]([O:34][C:15]([CH3:5])=[O:29])[C@H:22]1[O:33][C:14]([CH3:4])=[O:28] |
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