(25R)-5alpha,8alpha-epidioxy-24R,26-cyclo-cholest-6,22E-dien-3beta-ol

Properties Image MNX_ID MNXM24867 reference chebi:187563 formula C27H40O3 global charge 0 mol weight 412.614 InChIKey ACIGRLRKXLVDFE-PKTBXMBNSA-N InChI InChI=1S/C27H40O3/c1-17(5-6-19-15-18(19)2)21-7-8-22-24(21,3)11-10-23-25(4)12-9-20(28)16-26(25)13-14-27(22,23)30-29-26/h5-6,13-14,17-23,28H,7-12,15-16H2,1-4H3/b6-5+/t17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m1/s1 SMILES C[C@H](/C=C/[C@@H]1C[C@H]1C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3 MNX internals InChI (mnx) InChI=1/C27H40O3/c1-17(5-6-19-15-18(19)2)21-7-8-22-24(21,3)11-10-23-25(4)12-9-20(28)16-26(25)13-14-27(22,23)30-29-26/h5-6,13-14,17-23,28H,7-12,15-16H2,1-4H3/b6-5+/t17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m1/s1 SMILES (mnx) [CH3:1][C@H:17](/[CH:5]=[CH:6]/[C@@H:19]1[CH2:15][C@H:18]1[CH3:2])[C@H:21]1[CH2:7][CH2:8][C@@H:22]2[C@:24]1([CH3:3])[CH2:11][CH2:10][C@@H:23]1[C@@:25]3([CH3:4])[CH2:12][CH2:9][C@H:20]([OH:28])[CH2:16][C@:26]34[CH:13]=[CH:14][C@:27]21[O:30][O:29]4

Parent-child relations graph

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