5,6beta-epoxy-5beta-cholestane

Properties Image MNX_ID MNXM6121 reference chebi:28033 formula C27H46O global charge 0 mol weight 386.664 InChIKey OJFSRAVBTAGBIM-NBGJRJMZSA-N InChI InChI=1S/C27H46O/c1-18(2)9-8-10-19(3)21-11-12-22-20-17-24-27(28-24)15-7-6-14-26(27,5)23(20)13-16-25(21,22)4/h18-24H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24-,25-,26-,27-/m1/s1 SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45CCCC[C@]5(C)[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C27H46O/c1-18(2)9-8-10-19(3)21-11-12-22-20-17-24-27(28-24)15-7-6-14-26(27,5)23(20)13-16-25(21,22)4/h18-24H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24-,25-,26-,27-/m1/s1 SMILES (mnx) [CH3:1][CH:18]([CH3:2])[CH2:9][CH2:8][CH2:10][C@@H:19]([CH3:3])[C@H:21]1[CH2:11][CH2:12][C@H:22]2[C@@H:20]3[CH2:17][C@@H:24]4[C@@:27]5([CH2:15][CH2:7][CH2:6][CH2:14][C@:26]5([CH3:5])[C@H:23]3[CH2:13][CH2:16][C@:25]12[CH3:4])[O:28]4

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0