(E)-26,27-Dinorergosta-4,22-dien-3-one

Properties Image MNX_ID MNXM115264 reference chebi:174921 formula C26H40O global charge 0 mol weight 368.605 InChIKey FFRFYWBYDZTBDQ-VOTSOKGWSA-N InChI InChI=1S/C26H40O/c1-17(2)6-7-18(3)22-10-11-23-21-9-8-19-16-20(27)12-14-25(19,4)24(21)13-15-26(22,23)5/h6-7,16-18,21-24H,8-15H2,1-5H3/b7-6+ SMILES CC(C)/C=C/C(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C MNX internals InChI (mnx) InChI=1/C26H40O/c1-17(2)6-7-18(3)22-10-11-23-21-9-8-19-16-20(27)12-14-25(19,4)24(21)13-15-26(22,23)5/h6-7,16-18,21-24H,8-15H2,1-5H3/b7-6+/t18?,21?,22?,23?,24?,25?,26? SMILES (mnx) [CH3:1][CH:17]([CH3:2])/[CH:6]=[CH:7]/[CH:18]([CH3:3])[CH:22]1[CH2:10][CH2:11][CH:23]2[CH:21]3[CH2:9][CH2:8][C:19]4=[CH:16][C:20](=[O:27])[CH2:12][CH2:14][C:25]4([CH3:4])[CH:24]3[CH2:13][CH2:15][C:26]12[CH3:5]

Parent-child relations graph

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