Search MNXref
 Feedback

2,2-dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate

PropertiesImage
MNX_IDMNXM34342 Image of MNXM34342
referencechebi:79549
formulaC27H26O5
global charge0
mol weight430.5
InChIKeyYKTJCZCEEMQPMI-UHFFFAOYSA-N
InChIInChI=1S/C27H26O5/c1-17(28)31-22-14-15-23-24(16-22)32-27(2,3)26(19-8-12-21(30-5)13-9-19)25(23)18-6-10-20(29-4)11-7-18/h6-16H,1-5H3
SMILESCOC1=CC=C(C2=C(C3=CC=C(OC)C=C3)C(C)(C)OC3=C2C=CC(OC(C)=O)=C3)C=C1
MNX internals
InChI (mnx)InChI=1/C27H26O5/c1-17(28)31-22-14-15-23-24(16-22)32-27(2,3)26(19-8-12-21(30-5)13-9-19)25(23)18-6-10-20(29-4)11-7-18/h6-16H,1-5H3 Image of MNXM34342
SMILES (mnx)[CH3:1][C:17](=[O:28])[O:31][C:22]1=[CH:16][C:24]2=[C:23]([CH:15]=[CH:14]1)[C:25]([C:18]1=[CH:7][CH:11]=[C:20]([O:29][CH3:4])[CH:10]=[CH:6]1)=[C:26]([C:19]1=[CH:9][CH:13]=[C:21]([O:30][CH3:5])[CH:12]=[CH:8]1)[C:27]([CH3:2])([CH3:3])[O:32]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:79549
chebi:79549
YKTJCZCEEMQPMI-UHFFFAOYSA-N 		2,2-dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate
3,4-bis(4-methoxyphenyl)-2,2-dimethyl-2H-1-benzopyran-7-yl acetate
7-acetoxy-3,4-bis-(4-methoxy-phenyl)-2,2-dimethyl-2H-chromene

seed.compound:cpd10721
seedM:cpd10721
kegg.compound:C15027
keggC:C15027
YKTJCZCEEMQPMI-UHFFFAOYSA-N 		2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate

keggC:M_C15027
seedM:M_cpd10721 		secondary/obsolete/fantasy identifier