CAS: 12777-70-7; 6,6'-((Methylenebis(5-Butyryl-2,4,6-Trihydroxy-3,1-Phenylene))Bis(Methylene))Bis(2-Acetyl-3,5-Dihydroxy-4,4-Dimethylcyclohexa-2,5-Dien-1-One)

该化合物是分子结构复杂,包括各种有助于其生物活动的功能组群.Dryocrassin以其潜在的医学特性而著称,特别是在传统草药中,它被用于其...

英文名称6,6'-((Methylenebis(5-Butyryl-2,4,6-Trihydroxy-3,1-Phenylene))Bis(Methylene))Bis(2-Acetyl-3,5-Dihydroxy-4,4-Dimethylcyclohexa-2,5-Dien-1-One)
中文名称东北贯众素
IUPAC名称6,6'-((methylenebis(5-butyryl-2,4,6-trihydroxy-3,1-phenylene))bis(methylene))bis(2-acetyl-3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one)
其它别名Dryocrassin; 2-Acetyl-4-[[3-[[3-[(5-Acetyl-2,6-Dihydroxy-3,3-Dimethyl-4-Oxocyclohexa-1,5-Dien-1-yl)Methyl]-5-Butanoyl-2,4,6-Trihydroxyphenyl]Methyl]-5-Butanoyl-2,4,6-Trihydroxyphenyl]Methyl]-3,5-Dihydroxy-6,6-Dimethylcyclohexa-2,4-Dien-1-One; Dryocrassin Abba); Methylenebisnorflavaspidic Acid Abba; Tetraalbaspidin Abba; 2,5-Cyclohexadien-1-One, 2,2'-[methylenebis[[2,4,6-Trihydroxy-5-(1-Oxobutyl)-3,1-Phenylene]Methylene]]Bis[6-Acetyl-3,5-Dihydroxy-4,4-Dimethyl- (9Ci)
CAS编号12777-70-7
MFCD编号:MFCD20527289
分子式:C43H48O16
分子量:820.84
产品CID: 438584
产品分类生物化工 → 提取物

相似结构搜索
InChIKey: PRVKSKWNDSLRBY-UHFFFAOYSA-N
InChI=1S/C43H48O16/c1-9-11-24(46)28-32(50)18(30(48)20(34(28)52)14-22-36(54)26(16(3)44)40(58)42(5,6)38(22)56)13-19-31(49)21(35(53)29(33(19)51…
计算化学: 氢键受体数16.0氢键供体数10.0可旋转键数14.0

物理性质

沸点1089.0±65.0 °C at 760 mmHg
闪点626.1±30.8 °C
密度1.5±0.1 g/cm3
pKa:4.20±1.00(预测)
PSA:304.72
LogP:8.08
折射率1.673
蒸汽压0.0±0.3 mmHg at 25°C
溶解性Soluble In Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,Etc.
外观形态黄色粉末

MSDS等安全信息

GHS符号GHS07
警示词Warning
危险描述H315-H319
防范说明P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
安全声明H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body

上下游产品

2-acetyl-3,5-dihydroxy-4,4-dimethyl-2,5-cyclohexadien-1-one 3,5-dihydroxyphenol 2,4-diacetylphloroglucinol 2,6-diacetyl-3,5-dihydroxy-4,4-dimethyl-2,5-cyclohexadien-1-one

合成工艺路线路线简述

合成目标产物 Dryocrassin 主要起始原料 2,5-Cyclohexadien-1-One, 2-Acetyl-3,5-Dihydroxy-4,4-Dimethyl-6-[[2,4,6-Trihydroxy-3-(1-Oxobutyl)Phenyl]Methyl]-
(文献来源)合成步骤主要原料 2,5-Cyclohexadien-1-One, 2-Acetyl-3,5-Dihydroxy-4,4-Dimethyl-6-[[2,4,6-Trihydroxy-3-(1-Oxobutyl)Phenyl]Methyl]-