(5Z,7E)-(3S)-23,23-difluoro-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol

Properties Image MNX_ID MNXM35594 reference chebi:173061 formula C27H42F2O2 global charge 0 mol weight 436.627 InChIKey QHPKSIWDAYRSIM-CMOHYRQESA-N InChI InChI=1S/C27H42F2O2/c1-18-8-11-22(30)15-21(18)10-9-20-7-6-14-26(5)23(12-13-24(20)26)19(2)16-27(28,29)17-25(3,4)31/h9-10,19,22-24,30-31H,1,6-8,11-17H2,2-5H3/b20-9+,21-10-/t19-,22+,23-,24+,26-/m1/s1 SMILES C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CC(F)(F)CC(C)(C)O)CC[C@@H]12 MNX internals InChI (mnx) InChI=1/C27H42F2O2/c1-18-8-11-22(30)15-21(18)10-9-20-7-6-14-26(5)23(12-13-24(20)26)19(2)16-27(28,29)17-25(3,4)31/h9-10,19,22-24,30-31H,1,6-8,11-17H2,2-5H3/b20-9+,21-10-/t19-,22+,23-,24+,26-/m1/s1 SMILES (mnx) [CH2:1]=[C:18]1[CH2:8][CH2:11][C@H:22]([OH:30])[CH2:15]/[C:21]1=[CH:10]/[CH:9]=[C:20]1\[CH2:7][CH2:6][CH2:14][C@:26]2([CH3:5])[C@@H:23]([C@H:19]([CH3:2])[CH2:16][C:27]([CH2:17][C:25]([CH3:3])([CH3:4])[OH:31])([F:28])[F:29])[CH2:12][CH2:13][C@@H:24]12

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0