14alpha-formyl-4alpha-methyl-5alpha-cholesta-8,24-dien-3beta-ol

Properties Image MNX_ID MNXM1132202 reference metacycM:CPD-22766 formula C29H46O2 global charge 0 mol weight 426.685 InChIKey VIFGWTCNTQQMHH-HUWKDVIGSA-N InChI InChI=1S/C29H46O2/c1-19(2)8-7-9-20(3)22-13-17-29(18-30)25-11-10-23-21(4)26(31)14-15-27(23,5)24(25)12-16-28(22,29)6/h8,18,20-23,26,31H,7,9-17H2,1-6H3/t20-,21+,22-,23+,26+,27+,28-,29-/m1/s1 SMILES CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C=O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3 MNX internals InChI (mnx) InChI=1/C29H46O2/c1-19(2)8-7-9-20(3)22-13-17-29(18-30)25-11-10-23-21(4)26(31)14-15-27(23,5)24(25)12-16-28(22,29)6/h8,18,20-23,26,31H,7,9-17H2,1-6H3/t20-,21+,22-,23+,26+,27+,28-,29-/m1/s1 SMILES (mnx) [CH3:1][C:19]([CH3:2])=[CH:8][CH2:7][CH2:9][C@@H:20]([CH3:3])[C@H:22]1[CH2:13][CH2:17][C@@:29]2([CH:18]=[O:30])[C:25]3=[C:24]([CH2:12][CH2:16][C@:28]12[CH3:6])[C@@:27]1([CH3:5])[CH2:15][CH2:14][C@H:26]([OH:31])[C@@H:21]([CH3:4])[C@@H:23]1[CH2:10][CH2:11]3

Parent-child relations graph

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