Stigmasta-4,6-dien-3-one

Properties Image MNX_ID MNXM130920 reference chebi:192034 formula C29H46O global charge 0 mol weight 410.686 InChIKey KEAZWUZFBSXOMV-UHFFFAOYSA-N InChI InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10-11,18-21,24-27H,7-9,12-17H2,1-6H3 SMILES CCC(CCC(C)C1CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC12C)C(C)C MNX internals InChI (mnx) InChI=1/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10-11,18-21,24-27H,7-9,12-17H2,1-6H3/t20?,21?,24?,25?,26?,27?,28?,29? SMILES (mnx) [CH3:1][CH2:7][CH:21]([CH2:9][CH2:8][CH:20]([CH3:4])[CH:25]1[CH2:12][CH2:13][CH:26]2[CH:24]3[CH:11]=[CH:10][C:22]4=[CH:18][C:23](=[O:30])[CH2:14][CH2:16][C:28]4([CH3:5])[CH:27]3[CH2:15][CH2:17][C:29]12[CH3:6])[CH:19]([CH3:2])[CH3:3]

Parent-child relations graph

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