 Home > Encyclopedia > 2-[[2,4-Dihydroxy-6-methoxy-3-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-2,5-cyclohexadien-1-one

2-[[2,4-Dihydroxy-6-methoxy-3-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-2,5-cyclohexadien-1-one

2-[[2,4-Dihydroxy-6-methoxy-3-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-2,5-cyclohexadien-1-one structure

CAS No:
114-43-2
Formula:
C24H30O8
Chemical Name:
2-[[2,4-Dihydroxy-6-methoxy-3-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-2,5-cyclohexadien-1-one
Synonyms:
2,5-Cyclohexadien-1-one,2-[[2,4-dihydroxy-6-methoxy-3-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-;Butyrophenone,3′-[(5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl]-2′,6′-dihydroxy-4′-methoxy-;2-[[2,4-Dihydroxy-6-methoxy-3-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-2,5-cyclohexadien-1-one;3′-[(5-Butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl]-2′,6′-dihydroxy-4′-methoxybutyrophenone;Desaspidin BB;Rosapin

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Description

Desaspidin is an aromatic ketone.

2-[[2,4-Dihydroxy-6-methoxy-3-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-2,5-cyclohexadien-1-one Basic Attributes

Molecular Weight：

446.493

Exact Mass：

446.49

EC Number：

204-048-5

UNII：

KV3495SGKS

DSSTox ID：

DTXSID6074461

ATC Code：

P - Antiparasitic products, insecticides and repellents

Characteristics

PSA：

141.36000

XLogP3：

4.23400

Density：

1.306g/cm3

Melting Point：

150 °C

Boiling Point：

677.311ºC at 760 mmHg

Flash Point：

229.023ºC

Refractive Index：

1.599

Toxicity：

LD50 orally in mice: 340 mg/kg (Airaksinan)

Drug Information

MeSH Entry Terms：

desaspidin

Computed Properties

Molecular Weight:446.5
XLogP3:3.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:446.19406791
Monoisotopic Mass:446.19406791
Topological Polar Surface Area:141
Heavy Atom Count:32
Complexity:822
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[2,4-Dihydroxy-6-methoxy-3-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-2,5-cyclohexadien-1-one

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

2-[[2,4-Dihydroxy-6-methoxy-3-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-2,5-cyclohexadien-1-one

SDS

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