| Properties | Image |
|---|
| MNX_ID | MNXM53536 |
 |
| reference | chebi:135987 |
| formula | C22H29F3O3 |
| global charge | 0 |
| mol weight | 398.465 |
| InChIKey | CDZJOBWKHSYNMO-SCUQKFFVSA-N |
| InChI | InChI=1S/C22H29F3O3/c1-12(26)21(28)9-6-16-14-11-18(22(23,24)25)17-10-13(27)4-7-19(17,2)15(14)5-8-20(16,21)3/h10,14-16,18,28H,4-9,11H2,1-3H3/t14-,15+,16+,18+,19-,20+,21+/m1/s1 |
| SMILES | CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C(F)(F)F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C |
MNX internals
| InChI (mnx) | InChI=1/C22H29F3O3/c1-12(26)21(28)9-6-16-14-11-18(22(23,24)25)17-10-13(27)4-7-19(17,2)15(14)5-8-20(16,21)3/h10,14-16,18,28H,4-9,11H2,1-3H3/t14-,15+,16+,18+,19-,20+,21+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:12]([C@@:21]1([OH:28])[CH2:9][CH2:6][C@H:16]2[C@@H:14]3[CH2:11][C@H:18]([C:22]([F:23])([F:24])[F:25])[C:17]4=[CH:10][C:13](=[O:27])[CH2:4][CH2:7][C@:19]4([CH3:2])[C@H:15]3[CH2:5][CH2:8][C@@:20]21[CH3:3])=[O:26] |
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