AC1O5HQB structure

AC1O5HQB

2-[[4,7-dimethoxy-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1-benzofuran-6-yl]oxy]ethyl-di(propan-2-yl)azanium;2-hydroxy-2-oxoacetate

Also Known As: Benzofuran, 4,7-dimethoxy-6-(2-diisopropylaminoethoxy)-5-(p-methoxycinnamoyl)-, oxalate|4,7-Dimethoxy-6-(2-diisopropylaminoethoxy)-5-(p-methoxycinnamoyl)benzofuran oxalate|2-[[4,7-dimethoxy-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1-benzofuran-6-yl]oxy]ethyl-di(propan-2-yl)azanium; 2-hydroxy-2-oxoacetate|2-Propen-1-one, 1-[6-[2-[bis(1-methylethyl)amino]ethoxy]-4,7-dimethoxy-5-benzofuranyl]-3-(4-methoxyphenyl)-, ethanedioate (1:1)

CAS: 41226-20-4
Molecular Formula C30H37NO10
Molecular Weight 571.24176 g/mol
LogP 2.2561
Topological Polar Surface Area 149.0 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 9
Rotatable Bonds 12
Exact Mass 571.24176
Monoisotopic Mass 571.24176
Heavy Atoms 41
Complexity 1335.8442

Chemical Identifiers

CAS Number 41226-20-4
SMILES CC(C)[NH+](CCOC1=C(C2=C(C=CO2)C(=C1C(=O)/C=C/C3=CC=C(C=C3)OC)OC)OC)C(C)C.C(=O)(C(=O)[O-])O

Product Overview

AC1O5HQB (CAS 41226-20-4), with molecular formula C30H37NO10 and molecular weight 571.24176 g/mol. IUPAC: 2-[[4,7-dimethoxy-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1-benzofuran-6-yl]oxy]ethyl-di(propan-2-yl)azanium;2-hydroxy-2-oxoacetate.

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