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

Properties Image MNX_ID MNXM10242 reference metacycM:CPD-12852 formula C29H48O global charge 0 mol weight 412.702 InChIKey KLZWTHGLLDRKHD-PMIIOQGLSA-N InChI InChI=1S/C29H48O/c1-19(2)9-8-10-20(3)22-13-17-29(7)25-12-11-23-21(4)26(30)15-16-27(23,5)24(25)14-18-28(22,29)6/h9,20-23,26,30H,8,10-18H2,1-7H3/t20-,21+,22-,23+,26+,27+,28-,29+/m1/s1 SMILES CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3 MNX internals InChI (mnx) InChI=1/C29H48O/c1-19(2)9-8-10-20(3)22-13-17-29(7)25-12-11-23-21(4)26(30)15-16-27(23,5)24(25)14-18-28(22,29)6/h9,20-23,26,30H,8,10-18H2,1-7H3/t20-,21+,22-,23+,26+,27+,28-,29+/m1/s1 SMILES (mnx) [CH3:1][C:19]([CH3:2])=[CH:9][CH2:8][CH2:10][C@@H:20]([CH3:3])[C@H:22]1[CH2:13][CH2:17][C@@:29]2([CH3:7])[C:25]3=[C:24]([CH2:14][CH2:18][C@:28]12[CH3:6])[C@@:27]1([CH3:5])[CH2:16][CH2:15][C@H:26]([OH:30])[C@@H:21]([CH3:4])[C@@H:23]1[CH2:11][CH2:12]3

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0