(5Z,7E)-(3S)-22-fluoro-9,10-seco-5,7,10(19)-cholestatrien-3-ol

Properties Image MNX_ID MNXM35561 reference chebi:173063 formula C27H43FO global charge 0 mol weight 402.638 InChIKey BULPIFATHWIAFY-BEDQNQFSSA-N InChI InChI=1S/C27H43FO/c1-18(2)8-15-26(28)20(4)24-13-14-25-21(7-6-16-27(24,25)5)10-11-22-17-23(29)12-9-19(22)3/h10-11,18,20,23-26,29H,3,6-9,12-17H2,1-2,4-5H3/b21-10+,22-11-/t20-,23-,24+,25-,26?,27+/m0/s1 SMILES C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)C(F)CCC(C)C)CC[C@@H]12 MNX internals InChI (mnx) InChI=1/C27H43FO/c1-18(2)8-15-26(28)20(4)24-13-14-25-21(7-6-16-27(24,25)5)10-11-22-17-23(29)12-9-19(22)3/h10-11,18,20,23-26,29H,3,6-9,12-17H2,1-2,4-5H3/b21-10+,22-11-/t20-,23-,24+,25-,26?,27+/m0/s1 SMILES (mnx) [CH3:1][CH:18]([CH3:2])[CH2:8][CH2:15][CH:26]([C@@H:20]([CH3:4])[C@H:24]1[CH2:13][CH2:14][C@H:25]2/[C:21](=[CH:10]/[CH:11]=[C:22]3/[CH2:17][C@@H:23]([OH:29])[CH2:12][CH2:9][C:19]3=[CH2:3])[CH2:7][CH2:6][CH2:16][C@:27]12[CH3:5])[F:28]

Parent-child relations graph

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