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1-[3-[[3-acetyl-2,4,6-trihydroxy-5-(3-methylbut-2-enyl)phenyl]methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone

1-[3-[[3-acetyl-2,4,6-trihydroxy-5-(3-methylbut-2-enyl)phenyl]methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone structure

CAS No:
86828-07-1
Formula:
C24H28O8
Chemical Name:
1-[3-[[3-acetyl-2,4,6-trihydroxy-5-(3-methylbut-2-enyl)phenyl]methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone
Synonyms:
Mallotojaponin;

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1-[3-[[3-acetyl-2,4,6-trihydroxy-5-(3-methylbut-2-enyl)phenyl]methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone Basic Attributes

Molecular Weight：

444.47400

Exact Mass：

444.17841785 g/mol

DSSTox ID：

DTXSID10235846

Characteristics

PSA：

144.52000

XLogP3：

4.03630

Density：

1.306g/cm3

Boiling Point：

689.1ºC

Flash Point：

234.3ºC

Refractive Index：

1.622

Drug Information

MeSH Entry Terms：

3-(3,3-dimethylallyl)-5-(3-acetyl-2,4-dihydroxy-5-methyl-6-methoxybenzyl)phloroacetophenone

Computed Properties

Molecular Weight:444.5
XLogP3:4.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:444.17841785
Monoisotopic Mass:444.17841785
Topological Polar Surface Area:145
Heavy Atom Count:32
Complexity:702
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[3-[[3-acetyl-2,4,6-trihydroxy-5-(3-methylbut-2-enyl)phenyl]methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone

Basic Attributes
Characteristics
Drug Information
Computed Properties

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