ergosta-5,7,22,24(28)-tetraen-3beta-ol

Properties Image MNX_ID MNXM1109 reference chebi:18249 formula C28H42O global charge 0 mol weight 394.643 InChIKey SQFQJKZSFOZDJY-CVGLIYDESA-N InChI InChI=1S/C28H42O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18,20,22,24-26,29H,3,11-17H2,1-2,4-6H3/b8-7+/t20-,22+,24-,25+,26+,27+,28-/m1/s1 SMILES C=C(/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C MNX internals InChI (mnx) InChI=1/C28H42O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18,20,22,24-26,29H,3,11-17H2,1-2,4-6H3/b8-7+/t20-,22+,24-,25+,26+,27+,28-/m1/s1 SMILES (mnx) [CH3:1][CH:18]([CH3:2])[C:19](=[CH2:3])/[CH:7]=[CH:8]/[C@@H:20]([CH3:4])[C@H:24]1[CH2:11][CH2:12][C@H:25]2[C:23]3=[CH:10][CH:9]=[C:21]4[CH2:17][C@@H:22]([OH:29])[CH2:13][CH2:15][C@:27]4([CH3:5])[C@H:26]3[CH2:14][CH2:16][C@:28]12[CH3:6]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 17 in models (compartimentalized) 2