2,5-Cyclohexadien-1-one,3,5-dihydroxy-4,4-dimethyl-2-(1-oxobutyl)-6-[[2,4,6-trihydroxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-

用途

具有体外抗菌活性,是绵马驱虫(肠道)的成分之一。

名称

[ CAS 号 ]:
114-42-1

[ 英文名 ]:
2,5-Cyclohexadien-1-one,3,5-dihydroxy-4,4-dimethyl-2-(1-oxobutyl)-6-[[2,4,6-trihydroxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-

[英文别名 ]:

物理化学性质

[ 密度 ]:
1.342g/cm3

[ 沸点 ]:
721.9ºC at 760mmHg

[ 分子式 ]:
C24H30O8

[ 分子量 ]:
446.49000

[ 闪点 ]:
404.3ºC

[ 精确质量 ]:
446.19400

[ PSA ]:
152.36000

[ LogP ]:
4.23940

[ 蒸汽压 ]:
1.56E-21mmHg at 25°C

[ 折射率 ]:
1.62

毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EU1400000
CHEMICAL NAME :
Butyrophenone, 3'-((5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-c yclohexadien-1-yl) methyl)-2',4',6'-trihydroxy-5'-methyl-
CAS REGISTRY NUMBER :
114-42-1
BEILSTEIN REFERENCE NO. :
2068481
LAST UPDATED :
199709
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C24-H30-O8
MOLECULAR WEIGHT :
446.54
WISWESSER LINE NOTATION :
L6V DHJ BV3 CQ D1 D1 EQ F1R BQ DQ FQ C1 EV3

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
690 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
APTOA6 Acta Pharmacologica et Toxicologica. (Copenhagen, Denmark) V.1-59, 1945-86. For publisher information, see PHTOEH Volume(issue)/page/year: 25,33,1967
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
94 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 54,1362,1965
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Amphibian - frog
DOSE/DURATION :
40 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie. (Leipzig, Ger. Dem. Rep.) V.1-109, 1873-1925. For publisher information, see NSAPCC. Volume(issue)/page/year: 47,1,1902

合成路线

上下游产品

制备

物来源有鳞毛蕨科植物粗茎鳞毛蕨(Dryopteris crassirhizoma Nakai)的根茎,绵马[D. filix-mas(L.) Schott.]的根等,也可以进行化学合成。

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相关化合物

CAS号[114-42-1]化源网提供[2,5-Cyclohexadien-1-one,3,5-dihydroxy-4,4-dimethyl-2-(1-oxobutyl)-6-[[2,4,6-trihydroxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-]MSDS、说明、性质、英文名、生产厂家、作用/用途、分子量、密度、沸点、熔点、结构式等。>>电脑版:2,5-Cyclohexadien-1-one,3,5-dihydroxy-4,4-dimethyl-2-(1-oxobutyl)-6-[[2,4,6-trihydroxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-

标题:114-42-1_CAS号:114-42-1_2,5-Cyclohexadien-1-one,3,5-dihydroxy-4,4-dimethyl-2-(1-oxobutyl)-6-[[2,4,6-trihydroxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]- - 化源网 地址:https://www.chemsrc.com/amp/cas/114-42-1_672262.html