4alpha, 14alpha-dimethyl ergosta-8,25(27)-dienol

Properties Image MNX_ID MNXM114458 reference metacycM:CPD-14889 formula C30H50O global charge 0 mol weight 426.729 InChIKey ZNGUCFLTOCTQKJ-AJGJEUHPSA-N InChI InChI=1S/C30H50O/c1-19(2)20(3)9-10-21(4)23-13-17-30(8)26-12-11-24-22(5)27(31)15-16-28(24,6)25(26)14-18-29(23,30)7/h20-24,27,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,27-,28-,29+,30-/m0/s1 SMILES C=C(C)[C@@H](C)CC[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/C30H50O/c1-19(2)20(3)9-10-21(4)23-13-17-30(8)26-12-11-24-22(5)27(31)15-16-28(24,6)25(26)14-18-29(23,30)7/h20-24,27,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,27-,28-,29+,30-/m0/s1 SMILES (mnx) [CH2:1]=[C:19]([CH3:2])[C@@H:20]([CH3:3])[CH2:9][CH2:10][C@@H:21]([CH3:4])[C@H:23]1[CH2:13][CH2:17][C@@:30]2([CH3:8])[C:26]3=[C:25]([CH2:14][CH2:18][C@:29]12[CH3:7])[C@@:28]1([CH3:6])[CH2:16][CH2:15][C@H:27]([OH:31])[C@@H:22]([CH3:5])[C@@H:24]1[CH2:11][CH2:12]3

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0