| Properties | Image |
|---|
| MNX_ID | MNXM1187964 |
 |
| reference | envipathM:...31b3a68bb79d |
| formula | C25H33F3O5S |
| global charge | 0 |
| mol weight | 502.595 |
| InChIKey | JPFBGPYMGJGHGN-KXBWIIEKSA-N |
| InChI | InChI=1S/C25H33F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h9,13,15-16,18-19,30H,5-8,10-12H2,1-4H3/t13?,15?,16?,18?,19?,22-,23-,24-,25-/m0/s1 |
| SMILES | CCC(=O)O[C@]1(C(=O)SCF)C(C)CC2C3CC(F)C4=CC(=O)CC[C@]4(C)[C@@]3(F)C(O)C[C@@]21C |
MNX internals
| InChI (mnx) | InChI=1/C25H33F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h9,13,15-16,18-19,30H,5-8,10-12H2,1-4H3/t13?,15?,16?,18?,19?,22-,23-,24-,25-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][C:20](=[O:31])[O:33][C@:25]1([C:21](=[O:32])[S:34][CH2:12][F:26])[CH:13]([CH3:2])[CH2:8][CH:15]2[CH:16]3[CH2:10][CH:18]([F:27])[C:17]4=[CH:9][C:14](=[O:29])[CH2:6][CH2:7][C@:22]4([CH3:3])[C@@:24]3([F:28])[CH:19]([OH:30])[CH2:11][C@@:23]21[CH3:4] |
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