(3AR,4R,6AR,8S,9AR,9BR)-8-(β-D-吡喃葡萄糖基氧基)十氢-4-羟基-3,6,9-三(亚甲基)-并[4,5-B]呋喃-2(3H)-酮

• 常用名: (3AR,4R,6AR,8S,9AR,9BR)-8-(β-D-吡喃葡萄糖基氧基)十氢-4-羟基-3,6,9-三(亚甲基)-并[4,5-B]呋喃-2(3H)-酮
• 英文名: 8-Epicrepiside E
• CAS号: 93395-30-3
• 分子量: 424.442
• 密度: 1.5±0.1 g/cm3
• 沸点: 708.5±60.0 °C at 760 mmHg
• 分子式: C₂₁H₂₈O₉
• 熔点: N/A
• 闪点: 249.0±26.4 °C

名称

• 中文名: (3AR,4R,6AR,8S,9AR,9BR)-8-(BETA-D-吡喃葡萄糖基氧基)十氢-4-羟基-3,6,9-三(亚甲基)-并[4,5-B]呋喃-2(3H)-酮
• 英文名: (3aR,4R,6aR,8S,9aR,9bR)-4-hydroxy-3,6,9-trimethylene-8-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)decahydroazuleno[4,5-b]furan-2(3H)-one

物理化学性质

• 密度: 1.5±0.1 g/cm3
• 沸点: 708.5±60.0 °C at 760 mmHg
• 分子式: C₂₁H₂₈O₉
• 分子量: 424.442
• 闪点: 249.0±26.4 °C
• 精确质量: 424.173340
• PSA: 145.91000
• LogP: -1.51
• InChIKey: XNFZJASXPNFCQW-CEJIZLNCSA-N
• SMILES: C=C1CC(O)C2C(=C)C(=O)OC2C2C(=C)C(OC3OC(CO)C(O)C(O)C3O)CC12
• 外观性状: 粉末
• 蒸汽压: 0.0±5.1 mmHg at 25°C
• 折射率: 1.618
• 储存条件: 室温

安全信息

• 危害码 (欧洲): Xi

靶点实验

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实验名称：Cytotoxic activity against human BV2 cells assessed as cell viability at 20 uM incuba... 来源：ChEMBL 靶标：N/A External Id：CHEMBL3625662

实验名称：Cytotoxic activity against human BV2 cells assessed as cell viability at 5 uM incubat... 来源：ChEMBL 靶标：N/A External Id：CHEMBL3625661

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英文别名

• (3aR,4R,6aR,8S,9aR,9bR)-4-Hydroxy-3,6,9-tris(methylene)-2-oxododecahydroazuleno[4,5-b]furan-8-yl β-D-glucopyranoside