(4-alpha,5-beta,6-alpha)-2-苯甲酰基-3-(苯甲酰氧基)-6-羟基-6-甲基-4-苯基-4,5,6,7-四氢-2H-吲唑-5-羧酸乙酯
[CAS# 64670-58-2]

基本信息

• 产品名称: (4-alpha,5-beta,6-alpha)-2-苯甲酰基-3-(苯甲酰氧基)-6-羟基-6-甲基-4-苯基-4,5,6,7-四氢-2H-吲唑-5-羧酸乙酯
• 英文名: (4-alpha,5-beta,6-alpha)-2-Benzoyl-3-(Benzoyloxy)-6-Hydroxy-6-Methyl-4-Phenyl-4,5,6,7-Tetrahydro-2H-Indazole-5-Carboxylic Acid Ethyl Ester
• 别名: (4S,5R,6S)-6-Hydroxy-6-Methyl-3-(Oxo-Phenylmethoxy)-2-(Oxo-Phenylmethyl)-4-Phenyl-5,7-Dihydro-4H-Indazole-5-Carboxylic Acid Ethyl Ester; (4S,5R,6S)-2-(Benzoyl)-3-(Benzoyloxy)-6-Hydroxy-6-Methyl-4-Phenyl-5,7-Dihydro-4H-Indazole-5-Carboxylic Acid Ethyl Ester; Ethyl (4S,5R,6S)-6-Hydroxy-6-Methyl-4-Phenyl-2-Phenylcarbonyl-3-Phenylcarbonyloxy-5,7-Dihydro-4H-Indazole-5-Carboxylate
• 分子式: C₃₁H₂₈N₂O₆
• 分子量: 524.57
• CAS 登录号: 64670-58-2
• 分子行输入简码 SMILES: [C@@H]2(C1=C([N](N=C1C[C@]([C@@H]2C(=O)OCC)(C)O)C(C3=CC=CC=C3)=O)OC(C4=CC=CC=C4)=O)C5=CC=CC=C5
• 国际化学标识码 InChI: 1S/C31H28N2O6/c1-3-38-30(36)26-24(20-13-7-4-8-14-20)25-23(19-31(26,2)37)32-33(27(34)21-15-9-5-10-16-21)28(25)39-29(35)22-17-11-6-12-18-22/h4-18,24,26,37H,3,19H2,1-2H3/t24-,26-,31-/m0/s1
• 国际化学标识检索码 InChIKey: XTSOUWMASYRAAV-NLVXVLGSSA-N

物理化学性质

• 密度: 1.281g/cm³ （计算值）
• 沸点: 714.789°C at 760 mmHg （计算值）
• 闪点: 386.09°C （计算值）