| Properties | Image |
|---|
| MNX_ID | MNXM106414 |
 |
| reference | chebi:70161 |
| formula | C25H42ClNO6 |
| global charge | 0 |
| mol weight | 488.065 |
| InChIKey | OEGLIHPBLJQCGW-DRBFKITJSA-N |
| InChI | InChI=1S/C25H42ClNO6/c1-4-5-6-7-9-12-19(33-3)13-10-8-11-14-22(30)27-17-18(16-26)23-24(31)20(28)15-21(29)25(23,2)32/h8,10,16,19-21,23,28-29,32H,4-7,9,11-15,17H2,1-3H3,(H,27,30)/b10-8+,18-16-/t19-,20+,21+,23+,25-/m0/s1 |
| SMILES | CCCCCCC[C@@H](C/C=C/CCC(=O)NC/C(=C/Cl)[C@@H]1C(=O)[C@H](O)C[C@@H](O)[C@]1(C)O)OC |
MNX internals
| InChI (mnx) | InChI=1/C25H42ClNO6/c1-4-5-6-7-9-12-19(33-3)13-10-8-11-14-22(30)27-17-18(16-26)23-24(31)20(28)15-21(29)25(23,2)32/h8,10,16,19-21,23,28-29,32H,4-7,9,11-15,17H2,1-3H3,(H,27,30)/b10-8+,18-16-/t19-,20+,21+,23+,25-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:9][CH2:12][C@@H:19]([CH2:13]/[CH:10]=[CH:8]/[CH2:11][CH2:14][C:22](=[N:27][CH2:17]/[C:18](=[CH:16]/[Cl:26])[C@@H:23]1[C:24](=[O:31])[C@H:20]([OH:28])[CH2:15][C@@H:21]([OH:29])[C@:25]1([CH3:2])[OH:32])[OH:30])[O:33][CH3:3] |
|