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 ]:

Flavaspidsaeure
Flavaspidic acid
Polystichocitrin
Flavaspidic acid BB
flaspidic acid-BBBB
Toxifren
Glavaspidic acid
flavaspidic acid AB

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

详细合成路线

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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。