(22E,24R)-ergosta-7,22-diene-3,6-dione

Properties Image MNX_ID MNXM100983 reference chebi:70016 formula C28H42O2 global charge 0 mol weight 410.642 InChIKey AGFWEYQAOQMEEO-KRGQBHGKSA-N InChI InChI=1S/C28H42O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h7-8,16-19,22-25H,9-15H2,1-6H3/b8-7+/t18-,19+,22+,23-,24-,25+,27+,28+/m0/s1 SMILES CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C28H42O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h7-8,16-19,22-25H,9-15H2,1-6H3/b8-7+/t18-,19+,22+,23-,24-,25+,27+,28+/m0/s1 SMILES (mnx) [CH3:1][CH:17]([CH3:2])[C@@H:18]([CH3:3])/[CH:7]=[CH:8]/[C@@H:19]([CH3:4])[C@H:22]1[CH2:9][CH2:10][C@H:23]2[C:21]3=[CH:16][C:26](=[O:30])[C@H:25]4[CH2:15][C:20](=[O:29])[CH2:11][CH2:13][C@:28]4([CH3:6])[C@H:24]3[CH2:12][CH2:14][C@:27]12[CH3:5]

Parent-child relations graph

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