| Properties | Image |
|---|
| MNX_ID | MNXM41739 |
 |
| reference | keggD:D02886 |
| formula | C26H35FO6 |
| global charge | 0 |
| mol weight | 462.558 |
| InChIKey | NSZFBGIRFCHKOE-LFZVSNMSSA-N |
| InChI | InChI=1S/C26H35FO6/c1-5-24(6-2)32-21-12-18-17-8-7-15-11-16(29)9-10-22(15,3)25(17,27)19(30)13-23(18,4)26(21,33-24)20(31)14-28/h9-11,17-19,21,28,30H,5-8,12-14H2,1-4H3/t17-,18-,19-,21+,22-,23-,25-,26+/m0/s1 |
| SMILES | CCC1(CC)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 |
MNX internals
| InChI (mnx) | InChI=1/C26H35FO6/c1-5-24(6-2)32-21-12-18-17-8-7-15-11-16(29)9-10-22(15,3)25(17,27)19(30)13-23(18,4)26(21,33-24)20(31)14-28/h9-11,17-19,21,28,30H,5-8,12-14H2,1-4H3/t17-,18-,19-,21+,22-,23-,25-,26+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][C:24]1([CH2:6][CH3:2])[O:32][C@@H:21]2[CH2:12][C@H:18]3[C@@H:17]4[CH2:8][CH2:7][C:15]5=[CH:11][C:16](=[O:29])[CH:9]=[CH:10][C@:22]5([CH3:3])[C@@:25]4([F:27])[C@@H:19]([OH:30])[CH2:13][C@:23]3([CH3:4])[C@:26]2([C:20]([CH2:14][OH:28])=[O:31])[O:33]1 |
|