3-吡啶羧酸 (2S,3S,3AR,4R,6R,8R,10E,12R,13AR)-3,4,6,13A-四(乙酰氧基)-2,3,3A,4,5,6,7,8,9,12,13,13A-十二氢-2,9,9,12-四甲基-5-亚甲基-13-氧代-1H-环戊二烯并环十二碳六烯-8-基酯

• 常用名: 3-吡啶羧酸 (2S,3S,3AR,4R,6R,8R,10E,12R,13AR)-3,4,6,13A-四(乙酰氧基)-2,3,3A,4,5,6,7,8,9,12,13,13A-十二氢-2,9,9,12-四甲基-5-亚甲基-13-氧代-1H-环戊二烯并环十二碳六烯-8-基酯
• 英文名: 3,5,7,15-Tetraacetoxy-9-nicotinoyloxy-6(17),11-jatrophadien-14-one
• CAS号: 244277-75-6
• 分子量: 641.705
• 密度: 1.2±0.1 g/cm3
• 沸点: 669.2±55.0 °C at 760 mmHg
• 分子式: C₃₄H₄₃NO₁₁
• 熔点: N/A
• 闪点: 358.5±31.5 °C

名称

• 中文名: 3-吡啶羧酸 (2S,3S,3AR,4R,6R,8R,10E,12R,13AR)-3,4,6,13A-四(乙酰氧基)-2,3,3A,4,5,6,7,8,9,12,13,13A-十二氢-2,9,9,12-四甲基-5-亚甲基-13-氧代-1H-环戊二烯并环十二碳六烯-8-基酯
• 英文名: (1S,2S,3aR,5R,9R,11R,13R,13aR,E)-2,5,8,8-tetramethyl-12-methylene-9-(nicotinoyloxy)-4-oxo-1,2,3,4,5,8,9,10,11,12,13,13a-dodecahydro-3aH-cyclopenta[12]annulene-1,3a,11,13-tetrayl tetraacetate

物理化学性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 669.2±55.0 °C at 760 mmHg
• 分子式: C₃₄H₄₃NO₁₁
• 分子量: 641.705
• 闪点: 358.5±31.5 °C
• 精确质量: 641.283630
• PSA: 161.46000
• LogP: 5.11
• InChIKey: TXGHOMTZFCIHDL-HKURODNMSA-N
• SMILES: C=C1C(OC(C)=O)CC(OC(=O)c2cccnc2)C(C)(C)C=CC(C)C(=O)C2(OC(C)=O)CC(C)C(OC(C)=O)C2C1OC(C)=O
• 外观性状: 粉末
• 蒸汽压: 0.0±2.0 mmHg at 25°C
• 折射率: 1.540
• 储存条件: 室温

安全信息

• 危害码 (欧洲): Xi

靶点实验

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英文别名

• (2S,3S,3aR,4R,6R,8R,10Z,12R,13aR)-3,4,6,13a-Tetraacetoxy-2,9,9,12-tetramethyl-5-methylene-13-oxo-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-1H-cyclopenta[12]annulen-8-yl nicotinate
• 3-Pyridinecarboxylic acid, (2S,3S,3aR,4R,6R,8R,10Z,12R,13aR)-3,4,6,13a-tetrakis(acetyloxy)-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-2,9,9,12-tetramethyl-5-methylene-13-oxo-1H-cyclopentacyclododecen-8-yl ester