绵马贯众素ABBA | 12777-70-7

中文名称：绵马贯众素ABBA
英文名称：Dryocrassin ABBA
CAS No.：12777-70-7 分子式：C₄₃H₄₈O₁₆ 分子量：820.8316
植物源：绵马贯众
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击：绵马贯众素ABBA结构式
价格行情：绵马贯众素ABBA价格

绵马贯众素ABBA的其他展现形式

相关化合物

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绵马酸ABA Trisalbaspidin ABA CAS No.：38226-84-5

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鹤草酚 2,4-Cyclohexadien-1-one,6-[[2,6-dihydroxy-4-methoxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,6-dimethyl-2-(2-methyl-1-oxobutyl)- CAS No.：65792-05-4

4-(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylbenzyl)-3,5-dihydroxy-6,6-dimethyl-2-propanoylcyclohexa-2,4-dien-1-one CAS No.：199468-66-1

2-butanoyl-4-[3-butanoyl-5-(3-butanoyl-2,4-dihydroxy-6-methoxybenzyl)-2,4,6-trihydroxybenzyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one CAS No.：20213-24-5

名称和标识符

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)25(47)12-10-2)15-23-37(55)27(17(4)45)41(59)43(7,8)39(23)57/h48-57H,9-15H2,1-8H3
InChIKey	PRVKSKWNDSLRBY-UHFFFAOYSA-N
SMILES	O([H])C1=C(C(=C(C(C([H])([H])[H])=O)C(C1(C([H])([H])[H])C([H])([H])[H])=O)O[H])C([H])([H])C1=C(C(C(C([H])([H])C([H])([H])C([H])([H])[H])=O)=C(C(=C1O[H])C([H])([H])C1C(=C(C(C([H])([H])C([H])([H])C([H])([H])[H])=O)C(=C(C=1O[H])C([H])([H])C1C(=C(C(C([H])([H])[H])=O)C(C(C([H])([H])[H])(C([H])([H])[H])C=1O[H])=O)O[H])O[H])O[H])O[H])O[H]

别名信息

- 中文别名 -

绵马贯众素ABBA 东北贯众东北贯众素绵马贯众素ABBA（标准品）绵马贯众素ABBA（东北贯众素）绵马贯众素ABBA,Dryocrassin ABBA 绵马贯众素ABBA对照品白绵马酸ABBA 东北贯众素(绵马贯众素ABBA,东北绵麻贯众ABAB) 东北贯众素对照品绵马贯众素绵马贯众素ABBA(标准品) 绵马贯众素ABBA,东北绵麻贯众ABAB

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- 英文别名 -

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-dime DryocrassinABBA 3,29-Dibenzoyl rarounitriol 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 tetraalbaspidin-ABBA Y0072 Tetraalbaspidin ABBA Methylenebisnorflavaspidic acid ABBA Dryocrassin ABBA Dryocrassin-ABBA BCP29192 C43H48O16 N2411 A14678 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 2,5-Cyclohexadien-1-one, 2,2'-(methylenebis((2,4,6-trihydroxy-5-(1-oxobutyl)-3,1-phenylene)methylene) 4,4'-{Methylenebis[(5-butanoyl-2,4,6-trihydroxy-3,1-phenylene)methylene]}bis(2-acetyl-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one) 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]

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物化性质

计算特性

精确分子量	820.29400
氢键供体数量	10
氢键受体数量	16
重原子数量	59
可旋转化学键数量	14
复杂度	1760
拓扑分子极性表面积	305

实验特性

颜色与性状	Yellow powder
密度	1.474±0.06 g/cm3 (20 ºC 760 Torr),
溶解度	Insuluble (4.5E-5 g/L) (25 ºC),
PSA	304.72000
LogP	6.20580

化合物详情（旧版）

扩展阅读

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