 Home > Encyclopedia > [(3S,4R)-5-[[9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-3H-benzo[f][2]benzofuran-4-yl]oxy]-3,4-dihydroxyoxolan-3-yl]methyl acetate

[(3S,4R)-5-[[9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-3H-benzo[f][2]benzofuran-4-yl]oxy]-3,4-dihydroxyoxolan-3-yl]methyl acetate

[(3S,4R)-5-[[9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-3H-benzo[f][2]benzofuran-4-yl]oxy]-3,4-dihydroxyoxolan-3-yl]methyl acetate structure

CAS No:
111647-42-8
Formula:
C28H26O12
Chemical Name:
[(3S,4R)-5-[[9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-3H-benzo[f][2]benzofuran-4-yl]oxy]-3,4-dihydroxyoxolan-3-yl]methyl acetate
Synonyms:
4-O-(5''-O-acetyl)-(beta-D-apiofuranosyl)-6,7-dimethoxy-1-(3',4'-methylenedioxyphenyl)-3-hydroxymethylnaphthalene-2-carboxylic acid lactone;diphyllin acetyl apioside;111647-42-8;Diphyllin acetyl apioside;DTXSID90912244;[(3S,4R)-5-[[9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-3H-benzo[f][2]benzofuran-4-yl]oxy]-3,4-dihydroxyoxolan-3-yl]methyl acetate;4-O-(5''-O-Acetyl)-(beta-D-apiofuranosyl)-6,7-dimethoxy-1-(3',4'-methylenedioxyphenyl)-3-hydroxymethylnaphthalene-2-carboxylic acid lactone;(5-{[9-(2H-1,3-Benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-1,3-dihydronaphtho[2,3-c]furan-4-yl]oxy}-3,4-dihydroxyoxolan-3-yl)methyl acetate;Naphtho(2,3-c)furan-1(3H)-one, 4-((5-O-acetyl-D-apio-beta-D-furanosyl)oxy)-9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-

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[(3S,4R)-5-[[9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-3H-benzo[f][2]benzofuran-4-yl]oxy]-3,4-dihydroxyoxolan-3-yl]methyl acetate Basic Attributes

Molecular Weight：

554.5 g/mol

Exact Mass：

554.14242626 g/mol

Characteristics

PSA：

148 Å²

Drug Information

MeSH Entry Terms：

4-O-(5''-O-acetyl)-(beta-D-apiofuranosyl)-6,7-dimethoxy-1-(3',4'-methylenedioxyphenyl)-3-hydroxymethylnaphthalene-2-carboxylic acid lactone

Computed Properties

Molecular Weight:554.5
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:8
Exact Mass:554.14242626
Monoisotopic Mass:554.14242626
Topological Polar Surface Area:148
Heavy Atom Count:40
Complexity:946
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(3S,4R)-5-[[9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-3H-benzo[f][2]benzofuran-4-yl]oxy]-3,4-dihydroxyoxolan-3-yl]methyl acetate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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