(3b,24R,25x)-26-Benzoyloxystigmast-5-ene-3-ol

Properties Image MNX_ID MNXM115045 reference hmdb:HMDB0034553 formula C36H54O3 global charge 0 mol weight 534.825 InChIKey BJZQJLWLEFGCBH-UHFFFAOYSA-N InChI InChI=1S/C36H54O3/c1-6-26(25(3)23-39-34(38)27-10-8-7-9-11-27)13-12-24(2)31-16-17-32-30-15-14-28-22-29(37)18-20-35(28,4)33(30)19-21-36(31,32)5/h7-11,14,24-26,29-33,37H,6,12-13,15-23H2,1-5H3 SMILES CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)COC(=O)C1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C36H54O3/c1-6-26(25(3)23-39-34(38)27-10-8-7-9-11-27)13-12-24(2)31-16-17-32-30-15-14-28-22-29(37)18-20-35(28,4)33(30)19-21-36(31,32)5/h7-11,14,24-26,29-33,37H,6,12-13,15-23H2,1-5H3/t24?,25?,26?,29?,30?,31?,32?,33?,35?,36? SMILES (mnx) [CH3:1][CH2:6][CH:26]([CH2:13][CH2:12][CH:24]([CH3:2])[CH:31]1[CH2:16][CH2:17][CH:32]2[CH:30]3[CH2:15][CH:14]=[C:28]4[CH2:22][CH:29]([OH:37])[CH2:18][CH2:20][C:35]4([CH3:4])[CH:33]3[CH2:19][CH2:21][C:36]12[CH3:5])[CH:25]([CH3:3])[CH2:23][O:39][C:34]([C:27]1=[CH:10][CH:8]=[CH:7][CH:9]=[CH:11]1)=[O:38]

Parent-child relations graph

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