CAS: 108887-44-1; 6A-Hydroxy-2A1-Methyl-5-Oxo-8-(Prop-1-En-2-yl)Octahydro-2,4,7-Trioxa-3,6-Methanocyclopenta[cd]Cyclopropa[a]Azulen-7B(1H)-Yl Acetate

• 英文名称6A-Hydroxy-2A1-Methyl-5-Oxo-8-(Prop-1-En-2-yl)Octahydro-2,4,7-Trioxa-3,6-Methanocyclopenta[cd]Cyclopropa[a]Azulen-7B(1H)-Yl Acetate
• 中文名称13-O-乙酰基马桑宁
• IUPAC名称6a-hydroxy-2a1-methyl-5-oxo-8-(prop-1-en-2-yl)octahydro-2,4,7-trioxa-3,6-methanocyclopenta[cd]cyclopropa[a]azulen-7b(1H)-yl acetate
• 其它别名13-O-Acetylcorianin; 13-O-Acetylmarsanine; 3,6-Methano-2,4,7-Trioxacyclopenta[cd]Cycloprop[a]Azulen-5(1H)-One,7B-(Acetyloxy)Octahydro-6A-Hydroxy-7C-Methyl-8-(1-Methylethenyl)-, [2As-(2Aa,3A,6A,6Aa,6Bb,7Ab,7Ba,7Ca,8S*)]- (9Ci); 3,6-Methano-2,4,7-Trioxacyclopenta[cd]Cycloprop[a]Azulen-5(1H)-One, 7B-(Acetyloxy)Octahydro-6A-Hydroxy-7C-Methyl-8-(1-Methylethenyl)-, [2As-(2Aα,3α,6α,6Aα,6Bβ,7Aβ,7Bα,7Cα,8S*)]- (9Ci)
• CAS编号108887-44-1
• 分子式:C17H20O7分子量:336.34
• 产品CID: 124930
• 产品分类天然产物 → 倍半萜

• 相似结构搜索
• InChIKey: GHRWKEZPHWVFKN-UHFFFAOYSA-N
• InChI=1S/C17H20O7/c1-6(2)8-9-14(19)22-10(8)11-15(4)16(5-21-11,24-7(3)18)12-13(23-12)17(9,15)20/h8-13,20H,1,5H2,2-4H3
• 计算化学: 氢键受体数7.0氢键供体数1.0可旋转键数3.0

物理性质

• 沸点516.4±50.0 °C(预测)
• 密度1.45±0.1 g/cm3(预测)
• pKa:12.49±0.70(预测)
• PSA:94.59
• LogP:-0.047

MSDS等安全信息

• 危险描述H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
• 防范说明P264+P280+P305+P351+P338+P337+P313
• 安全声明H303+H313+H333

上下游产品

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其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管