2,2-dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate

Properties Image MNX_ID MNXM34337 reference chebi:79581 formula C27H34O4 global charge 0 mol weight 422.565 InChIKey CETLNFWQTHLCEA-UHFFFAOYSA-N InChI InChI=1S/C27H34O4/c1-6-8-16-27(17-9-7-2)26(21-10-12-22(29-5)13-11-21)19(3)24-15-14-23(30-20(4)28)18-25(24)31-27/h10-15,18H,6-9,16-17H2,1-5H3 SMILES CCCCC1(CCCC)OC2=C(C=CC(OC(C)=O)=C2)C(C)=C1C1=CC=C(OC)C=C1 MNX internals InChI (mnx) InChI=1/C27H34O4/c1-6-8-16-27(17-9-7-2)26(21-10-12-22(29-5)13-11-21)19(3)24-15-14-23(30-20(4)28)18-25(24)31-27/h10-15,18H,6-9,16-17H2,1-5H3 SMILES (mnx) [CH3:1][CH2:6][CH2:8][CH2:16][C:27]1([CH2:17][CH2:9][CH2:7][CH3:2])[C:26]([C:21]2=[CH:11][CH:13]=[C:22]([O:29][CH3:5])[CH:12]=[CH:10]2)=[C:19]([CH3:3])[C:24]2=[C:25]([CH:18]=[C:23]([O:30][C:20]([CH3:4])=[O:28])[CH:14]=[CH:15]2)[O:31]1

Parent-child relations graph

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