4alpha-methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-ol

Properties Image MNX_ID MNXM2619 reference chebi:30109 formula C29H46O global charge 0 mol weight 410.686 InChIKey HLAWVOWADPNAGN-BAHZUFOISA-N InChI InChI=1S/C29H46O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h13,18,20-21,23-24,27,30H,3,8-12,14-17H2,1-2,4-7H3/t20-,21+,23-,24+,27+,28-,29+/m1/s1 SMILES C=C(CC[C@@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3)C(C)C MNX internals InChI (mnx) InChI=1/C29H46O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h13,18,20-21,23-24,27,30H,3,8-12,14-17H2,1-2,4-7H3/t20-,21+,23-,24+,27+,28-,29+/m1/s1 SMILES (mnx) [CH3:1][CH:18]([CH3:2])[C:19](=[CH2:3])[CH2:8][CH2:9][C@@H:20]([CH3:4])[C@H:23]1[CH2:12][CH:13]=[C:25]2[C:22]3=[C:26]([CH2:14][CH2:16][C@:28]12[CH3:6])[C@@:29]1([CH3:7])[CH2:17][CH2:15][C@H:27]([OH:30])[C@@H:21]([CH3:5])[C@@H:24]1[CH2:11][CH2:10]3

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 14 in models (compartimentalized) 1