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

• 常用名: [(1S,6S,7S,8R,8aR)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl] 3-methylbenzoate
• 英文名: [(1S,6S,7S,8R,8aR)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl] 3-methylbenzoate
• CAS号: 121104-90-3
• 分子量: 307.34200
• 密度: 1.39g/cm3
• 沸点: 511ºC at 760mmHg
• 分子式: C₁₆H₂₁NO₅
• 熔点: N/A
• 闪点: N/A

名称

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

物理化学性质

• 密度: 1.39g/cm3
• 沸点: 511ºC at 760mmHg
• 分子式: C₁₆H₂₁NO₅
• 分子量: 307.34200
• 精确质量: 307.14200
• PSA: 90.23000
• InChIKey: RYYFYLNAGNVQNG-VQJWOFKYSA-N
• SMILES: Cc1cccc(C(=O)OC2CN3CCC(O)C3C(O)C2O)c1
• 蒸汽压: 2.89E-11mmHg at 25°C
• 折射率: 1.635

英文别名

• Castanospermine,6-O-(3-methylbenzoyl)
• Benzoic acid,3-methyl-,octahydro-1,7,8-trihydroxy-6-indolizinyl ester,[1S-(1a,6b,7a,8b,8ab)]
• MDL 29,435
• Benzoic acid,3-methyl-,octahydro-1,7,8-trihydroxy-6-indolizinyl ester,(1S-(1alpha,6beta,7alpha,8beta,8abeta))