5beta-cholestane-3alpha,7alpha,12alpha,27,27-pentaol

Properties Image MNX_ID MNXM163692 reference biggM:CE4874 formula C27H48O5 global charge 0 mol weight 452.676 InChIKey ISDIRLRPWGRAHM-CFEPZSCRSA-N InChI InChI=1S/C27H48O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-25,28-32H,5-14H2,1-4H3/t15?,16?,17?,18?,19-,20?,21?,22?,23?,24?,26+,27-/m1/s1 SMILES CC(CCCC(C)[C@H]1CCC2C3C(O)CC4CC(O)CC[C@]4(C)C3CC(O)[C@@]21C)C(O)O MNX internals InChI (mnx) InChI=1/C27H48O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-25,28-32H,5-14H2,1-4H3/t15?,16?,17?,18?,19-,20?,21?,22?,23?,24?,26+,27-/m1/s1 SMILES (mnx) [CH3:1][CH:15]([CH2:6][CH2:5][CH2:7][CH:16]([CH3:2])[CH:25]([OH:31])[OH:32])[C@H:19]1[CH2:8][CH2:9][CH:20]2[CH:24]3[CH:21]([CH2:14][CH:23]([OH:30])[C@:27]12[CH3:4])[C@@:26]1([CH3:3])[CH2:11][CH2:10][CH:18]([OH:28])[CH2:12][CH:17]1[CH2:13][CH:22]3[OH:29]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 4