4alpha-methyl-cholesta-8,14-dienol

Properties Image MNX_ID MNXM37782 reference metacycM:CPD-4183 formula C28H46O global charge 0 mol weight 398.675 InChIKey OUCINTVMAVITJZ-HESBYNJASA-N InChI InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h13,18-20,22-23,26,29H,7-12,14-17H2,1-6H3/t19-,20+,22-,23+,26+,27-,28+/m1/s1 SMILES CC(C)CCC[C@@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3 MNX internals InChI (mnx) InChI=1/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h13,18-20,22-23,26,29H,7-12,14-17H2,1-6H3/t19-,20+,22-,23+,26+,27-,28+/m1/s1 SMILES (mnx) [CH3:1][CH:18]([CH3:2])[CH2:8][CH2:7][CH2:9][C@@H:19]([CH3:3])[C@H:22]1[CH2:12][CH:13]=[C:24]2[C:21]3=[C:25]([CH2:14][CH2:16][C@:27]12[CH3:5])[C@@:28]1([CH3:6])[CH2:17][CH2:15][C@H:26]([OH:29])[C@@H:20]([CH3:4])[C@@H:23]1[CH2:11][CH2:10]3

Parent-child relations graph

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