59780-08-4 (6β-angeloyloxy-1,10β-epoxy-9-oxo-furanoremophilane,6beta-angeloyloxy-1,10beta-epoxy-9-oxo-furanoeremophilane)

快速询单

结构式：

6β-angeloyloxy-1,10β-epoxy-9-oxo-furanoremophilaneMOL文件

CAS号：

59780-08-4

中文名称：

6β-angeloyloxy-1,10β-epoxy-9-oxo-furanoremophilane

英文名称：

6beta-angeloyloxy-1,10beta-epoxy-9-oxo-furanoeremophilane

分子式：

C₂₀H₂₄O₅

分子量：

344.401566505432

植物源：

山尖子

6β-angeloyloxy-1,10β-epoxy-9-oxo-furanoremophilane(59780-08-4)名称与标识符

名称

英文别名：

6beta-angeloyloxy-1,10beta-epoxy-9-oxo-furanoeremophilane;6beta-angeloyloxy-1beta,10beta-epoxy-9-on-furaneremophilane;6beta-Angeloyloxy-1beta,10beta-epoxy-9-oxofuranoeremophilane;59780-08-4;(6,9,10-Trimethyl-2-oxo-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradeca-3(7),5-dien-8-yl) 2-methylbut-2-enoate;AKOS040761227;6?-Angeloyloxy-1?,10?-epoxy-9-oxofuranoeremophilane;JCA78008;

标识符

InChIKey：

DYUUYSPIUJKIFD-UHFFFAOYSA-N

Inchi：

1S/C20H24O5/c1-6-10(2)18(22)24-17-14-11(3)9-23-15(14)16(21)20-13(25-20)8-7-12(4)19(17,20)5/h6,9,12-13,17H,7-8H2,1-5H3

SMILES：

O1C2CCC(C)C3(C)C(C4C(C)=COC=4C(C132)=O)OC(C(=CC)C)=O

6β-angeloyloxy-1,10β-epoxy-9-oxo-furanoremophilane(59780-08-4)物化性质

实验特性

沸点 : 399.3±42.0 °C at 760 mmHg
蒸气压 : 0.0±2.1 mmHg at 25°C
闪点 : 209.4±24.4 °C
颜色与性状 : Powder
密度 : 1.9±0.1 g/cm3

计算特性

精确分子量 : 344.16237386g/mol
氢键供体数量 : 0
氢键受体数量 : 5
可旋转化学键数量 : 3
同位素质量 : 344.16237386g/mol
重原子数量 : 25
复杂度 : 655
同位素原子数量 : 0
确定原子立构中心数量 : 5
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 1
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） : 3.7
拓扑分子极性表面积 : 69Å²

6β-angeloyloxy-1,10β-epoxy-9-oxo-furanoremophilane(59780-08-4)安全信息

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6β-angeloyloxy-1,10β-epoxy-9-oxo-furanoremophilane(59780-08-4)参考资料

Reaxys RN：

PubChem CID：

14237565

8001-48-7(儿茶提取物) 80064-67-1((ASN5)-DELTA-SLEEP INDUCING PEPTIDE) 80110-35-6(methyl 3-aminoadamantane-1-carboxylate;hydrochloride) 8021-99-6(活性炭) 80259-15-0(2-(4-硝基苯基)乙烷磺酰氯) 80452-55-7(7-氯-2,3,4,5-四氢-1H-1-苯并氮杂-2,5-二酮) 8046-97-7(马钱子提取物) 80489-67-4((1Z,5E,8Z,10E,12R)-5,9-Dimethyl-12-isopropyl-1,5,8,10-cyclotetradecatetrene-1-carboxylic acid)

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