N-(环己基羰基)-L-丙氨酸 11-酯与 20,23-二去氢-20,23-二去氧代-20,23-二羟基安赛三烯醇 A
[CAS# 80111-48-4]

基本信息

• 产品名称: N-(环己基羰基)-L-丙氨酸 11-酯与 20,23-二去氢-20,23-二去氧代-20,23-二羟基安赛三烯醇 A
• 英文名: N-(Cyclohexylcarbonyl)-L-Alanine 11-Ester With 20,23-Didehydro-20,23-Dideoxo-20,23-Dihydroxyansatrienol A
• 别名: (2R)-2-[(Cyclohexyl-Oxomethyl)Amino]Propanoic Acid [(4Z,6R,7R,8S,10Z,12Z,14Z,16R)-6,22,24-Trihydroxy-16-Methoxy-5,7-Dimethyl-18-Oxo-19-Azabicyclo[18.3.1]Tetracosa-1(23),4,10,12,14,20(24),21-Heptaen-8-Yl] Ester; (2R)-2-(Cyclohexanecarbonylamino)Propionic Acid [(4Z,6R,7R,8S,10Z,12Z,14Z,16R)-6,22,24-Trihydroxy-18-Keto-16-Methoxy-5,7-Dimethyl-19-Azabicyclo[18.3.1]Tetracosa-1(23),4,10,12,14,20(24),21-Heptaen-8-Yl] Ester; [(4Z,6R,7R,8S,10Z,12Z,14Z,16R)-6,22,24-Trihydroxy-16-Methoxy-5,7-Dimethyl-18-Oxo-19-Azabicyclo[18.3.1]Tetracosa-1(23),4,10,12,14,20(24),21-Heptaen-8-Yl] (2R)-2-(Cyclohexylcarbonylamino)Propanoate
• 分子式: C₃₆H₅₀N₂O₈
• 分子量: 638.80
• CAS 登录号: 80111-48-4
• 分子行输入简码 SMILES: [C@@H]3([C@@H](OC(=O)[C@H](NC(=O)C1CCCCC1)C)C\C=C/C=C\C=C/[C@H](OC)CC(=O)NC2=C(O)C(=CC(=C2)O)CC\C=C(/[C@@H]3O)C)C
• 国际化学标识码 InChI: 1S/C36H50N2O8/c1-23-14-13-17-27-20-28(39)21-30(34(27)42)38-32(40)22-29(45-4)18-11-6-5-7-12-19-31(24(2)33(23)41)46-36(44)25(3)37-35(43)26-15-9-8-10-16-26/h5-7,11-12,14,18,20-21,24-26,29,31,33,39,41-42H,8-10,13,15-17,19,22H2,1-4H3,(H,37,43)(H,38,40)/b6-5-,12-7-,18-11-,23-14-/t24-,25+,29-,31-,33-/m0/s1
• 国际化学标识检索码 InChIKey: VVJDHJZQBGWPEQ-UVDHFMOUSA-N

物理化学性质

• 密度: 1.219g/cm³ （计算值）
• 沸点: 834.549°C at 760 mmHg （计算值）
• 闪点: 458.519°C （计算值）