5beta-cholestane-3alpha,7alpha,12alpha,25-tetrol

Properties Image MNX_ID MNXM733636 reference biggM:CE1272 formula C27H48O4 global charge 0 mol weight 436.677 InChIKey NTIXPPFPXLYJCT-OWOWEXKPSA-N InChI InChI=1S/C27H48O4/c1-16(7-6-11-25(2,3)31)19-8-9-20-24-21(15-23(30)27(19,20)5)26(4)12-10-18(28)13-17(26)14-22(24)29/h16-24,28-31H,6-15H2,1-5H3/t16-,17?,18?,19-,20+,21+,22?,23?,24+,26+,27-/m1/s1 SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3C(O)CC4CC(O)CC[C@]4(C)[C@H]3CC(O)[C@]12C MNX internals InChI (mnx) InChI=1/C27H48O4/c1-16(7-6-11-25(2,3)31)19-8-9-20-24-21(15-23(30)27(19,20)5)26(4)12-10-18(28)13-17(26)14-22(24)29/h16-24,28-31H,6-15H2,1-5H3/t16-,17?,18?,19-,20+,21+,22?,23?,24+,26+,27-/m1/s1 SMILES (mnx) [CH3:1][C@H:16]([CH2:7][CH2:6][CH2:11][C:25]([CH3:2])([CH3:3])[OH:31])[C@H:19]1[CH2:8][CH2:9][C@H:20]2[C@H:24]3[C@H:21]([CH2:15][CH:23]([OH:30])[C@:27]12[CH3:5])[C@@:26]1([CH3:4])[CH2:12][CH2:10][CH:18]([OH:28])[CH2:13][CH:17]1[CH2:14][CH:22]3[OH:29]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 8