1892-56-4 (阿塔曼素,Butanoic acid,3-methyl-,(8S,9R)-8,9-dihydro-8-[1-methyl-1-(3-methyl-1-oxobutoxy)ethyl]-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-ylester (9CI))

快速询单

结构式：

阿塔曼素MOL文件

CAS号：

1892-56-4

中文名称：

阿塔曼素

英文名称：

Butanoic acid,3-methyl-,(8S,9R)-8,9-dihydro-8-[1-methyl-1-(3-methyl-1-oxobutoxy)ethyl]-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-ylester (9CI)

分子式：

C₂₄H₃₀O₇

分子量：

430.490808010101

简介：

阿塔曼素，英文名称为ATHAMANTIN，分子式为C24H30O7，沸点为508.6°C at 760 mmHg，蒸汽压为1.82E-10mmHg at 25°C。

阿塔曼素(1892-56-4)名称与标识符

名称

中文别名：

阿塔曼素;

英文别名：

Butanoic acid,3-methyl-,(8S,9R)-8,9-dihydro-8-[1-methyl-1-(3-methyl-1-oxobutoxy)ethyl]-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-ylester (9CI);[(8S,9R)-8-[2-(3-methylbutanoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] 3-methylbutanoate;Butanoic acid,3-methyl-,(8S,9R)-8,9-dihydro-8-[1-methyl-1-(3-methyl-1-oxobutoxy)ethyl]-2-oxo-2...;Butanoic acid,3-methyl-,(8S,9R)-8,9-dihydro-8-[1-methyl-1-(3-methyl-1-oxobutoxy)ethyl]-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-yl;(8S-cis)-8,9-Dihydro-8-(1-methyl-1-(3-methyl-1-oxobutoxy)ethyl)-2-oxo-2H-furo(2,3-h)-1-benzopyran-9-yl 3-methylbutanoate;2-{(8S,9R)-9-[(3-methylbutanoyl)oxy]-2-oxo-8,9-dihydro-2H-furo[2,3-h]chromen-8-yl}propan-2-yl 3-methylbutanoate;Athamantin;Butanoic acid, 3-methyl-, 8,9-dihydro-8-(1-methyl-1-(3-methyl-1-oxobutoxy)ethyl)-2-oxo-2H-furo(2,3-h)-1-benzopyran-9-yl ester, (8S-cis)-;3-Methylbutyric acid (8S,9R)-8,9-dihydro-8-[1-methyl-1-(3-methyl-1-oxobutoxy)ethyl]-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-yl ester;DTXSID30172320;1892-56-4;SCHEMBL2232176;Q27105875;N64VN7M7WB;(8S-CIS)-3-METHYLBUTANOIC ACID 8,9-DIHYDRO-8-(1-METHYL-1-(3-METHYL-1-OXOBUTOXY)ETHYL)-2-OXO-2H-FURO(2,3-H)-1-BENZOPYRAN-9-YL ESTER;Anthamantin;CHEBI:2905;C09123;ATHAMANTIN [MI];NS00094665;UNII-N64VN7M7WB;

标识符

InChIKey：

KPLBOWKEQXYXSD-PKTZIBPZSA-N

Inchi：

1S/C24H30O7/c1-13(2)11-18(26)30-22-20-16(9-7-15-8-10-17(25)29-21(15)20)28-23(22)24(5,6)31-19(27)12-14(3)4/h7-10,13-14,22-23H,11-12H2,1-6H3/t22-,23+/m1/s1

SMILES：

O1C2C=CC3C=CC(=O)OC=3C=2[C@H]([C@H]1C(C)(C)OC(CC(C)C)=O)OC(CC(C)C)=O

阿塔曼素(1892-56-4)物化性质

实验特性

折射率 : 1.548
沸点 : 508.6°Cat760mmHg
熔点 : 58-60°
闪点 : 217.4°C
比旋光度 : D20 +88° (c = 1.145 in glacial acetic acid); 22546 +129° (c = 0.5575 in methanol); 21546 +73.9° (c = 1.024 in chloroform)
密度 : 1.2