32274-52-5 (2H-吡喃-2-酮，3-[[3-乙酰基-2,4,6-三羟基-5-（3-甲基-2-丁烯-1-基）苯基]甲基]-6-乙基-4-羟基-5-甲基-,2H-Pyran-2-one,3-[[3-acetyl-2,4,6-trihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]methyl]-6-ethyl-4-hydroxy-5-methyl-)

快速询单

结构式：

2H-吡喃-2-酮，3-[[3-乙酰基-2,4,6-三羟基-5-（3-甲基-2-丁烯-1-基）苯基]甲基]-6-乙基-4-羟基-5-甲基-MOL文件

CAS号：

32274-52-5

中文名称：

2H-吡喃-2-酮，3-[[3-乙酰基-2,4,6-三羟基-5-（3-甲基-2-丁烯-1-基）苯基]甲基]-6-乙基-4-羟基-5-甲基-

英文名称：

2H-Pyran-2-one,3-[[3-acetyl-2,4,6-trihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]methyl]-6-ethyl-4-hydroxy-5-methyl-

分子式：

C₂₂H₂₆O₇

分子量：

402.437647342682

2H-吡喃-2-酮，3-[[3-乙酰基-2,4,6-三羟基-5-（3-甲基-2-丁烯-1-基）苯基]甲基]-6-乙基-4-羟基-5-甲基-(32274-52-5)名称与标识符

名称

英文别名：

2H-Pyran-2-one,3-[[3-acetyl-2,4,6-trihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]methyl]-6-ethyl-4-hydroxy-5-methyl-;2H-Pyran-2-one,3-[[3-acetyl-2,4,6-trihydroxy-5-(3-methyl-2-butenyl)phenyl]methyl]-6-ethyl-4-hydroxy-5-methyl-(9CI);Arzanol;Homoarenol;BDBM50109833;32274-52-5;2H-Pyran-2-one, 3-[[3-acetyl-2,4,6-trihydroxy-5-(3-methyl-2-butenyl)phenyl]methyl]-6-ethyl-4-hydroxy-5-methyl-;Arzanol, from Helichrysum italicum, >=98%;3-[[3-acetyl-2,4,6-trihydroxy-5-(3-methylbut-2-enyl)phenyl]methyl]-6-ethyl-4-hydroxy-5-methyl-pyran-2-one;3-[4-Acetyl-2,3,6-trihydroxy-5-(3-methyl-2-butenyl)benzyl]-6-ethyl-4-hydroxy-5-methyl-2H-pyran-2-one;CHEMBL225421;SCHEMBL25584727;3-((3-acetyl-2,4,6-trihydroxy-5-(3-methylbut-2-enyl)phenyl)methyl)-6-ethyl-4-hydroxy-5-methylpyran-2-one;GLXC-20109;3-[[3-acetyl-2,4,6-trihydroxy-5-(3-methylbut-2-enyl)phenyl]methyl]-6-ethyl-4-hydroxy-5-methylpyran-2-one;

标识符

MDL：

MFCD28168041

InChIKey：

ZOIAPLVBZQQHCG-UHFFFAOYSA-N

Inchi：

1S/C22H26O7/c1-6-16-11(4)18(24)15(22(28)29-16)9-14-19(25)13(8-7-10(2)3)20(26)17(12(5)23)21(14)27/h7,24-27H,6,8-9H2,1-5H3

SMILES：

O1C(C(=C(C(C)=C1CC)O)CC1=C(C(C(C)=O)=C(C(C/C=C(\C)/C)=C1O)O)O)=O

2H-吡喃-2-酮，3-[[3-乙酰基-2,4,6-三羟基-5-（3-甲基-2-丁烯-1-基）苯基]甲基]-6-乙基-4-羟基-5-甲基-(32274-52-5)物化性质

实验特性

PSA : 124.29

计算特性

精确分子量 : 402.16788
氢键供体数量 : 4
氢键受体数量 : 7
可旋转化学键数量 : 6
同位素质量 : 402.168
重原子数量 : 29
复杂度 : 757
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 3.9
拓扑分子极性表面积 : 124A^2

2H-吡喃-2-酮，3-[[3-乙酰基-2,4,6-三羟基-5-（3-甲基-2-丁烯-1-基）苯基]甲基]-6-乙基-4-羟基-5-甲基-(32274-52-5)推荐厂家更多厂家(2)

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2H-吡喃-2-酮，3-[[3-乙酰基-2,4,6-三羟基-5-（3-甲基-2-丁烯-1-基）苯基]甲基]-6-乙基-4-羟基-5-甲基-(32274-52-5)相关文献

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