[(1S,6S,7R,8R,8aR)-1,6,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl] 4-methylbenzoate

• 常用名: [(1S,6S,7R,8R,8aR)-1,6,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl] 4-methylbenzoate
• 英文名: [(1S,6S,7R,8R,8aR)-1,6,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl] 4-methylbenzoate
• CAS号: 121104-88-9
• 分子量: 307.34200
• 密度: 1.39g/cm3
• 沸点: 510ºC at 760 mmHg
• 分子式: C₁₆H₂₁NO₅
• 熔点: N/A
• 闪点: 262.2ºC

名称

• 英文名: [(1S,6S,7R,8R,8aR)-1,6,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl] 4-methylbenzoate

物理化学性质

• 密度: 1.39g/cm3
• 沸点: 510ºC at 760 mmHg
• 分子式: C₁₆H₂₁NO₅
• 分子量: 307.34200
• 闪点: 262.2ºC
• 精确质量: 307.14200
• PSA: 90.23000
• InChIKey: SMNSLKYEWQSBJL-VQJWOFKYSA-N
• SMILES: Cc1ccc(C(=O)OC2C(O)CN3CCC(O)C3C2O)cc1
• 蒸汽压: 3.18E-11mmHg at 25°C
• 折射率: 1.635

英文别名

• 7-O-deriv,Castanospermine
• Benzoic acid,4-methyl-,octahydro-1,6,8-trihydroxy-7-indolizinyl ester,(1S-(1alpha,6beta,7alpha,8beta,8abeta))
• Castanospermine,7-O-(4-methylbenzoyl)
• MDL 29,270