铁海棠碱
[CAS# 34391-10-1]

基本信息

• 产品名称: 铁海棠碱
• 英文名: Milliamine
• 别名: Benzoic Acid, 2-((2-((2-(Dimethylamino)Benzoyl)Amino)-3-Hydroxybenzoyl)Amino)-, 4-((Acetyloxy)Methyl)-1A,2,5,5A,6,9,10,10A-Octahydro-5,5A-Dihydroxy-1,1,7,9-Tetramethyl-11-Oxo-1H-2,8A-Methanocyclopenta(A)Cyclopropa(E)Cyclodecen-6-Yl Ester, (1Ar-(1Aalpha,2Beta,5Beta,5Abeta,6Beta,8Aalpha,9Alpha,10Aalpha))-; Milliamin
• 分子式: C₄₅H₄₉N₃O₁₀
• 分子量: 791.90
• CAS 登录号: 34391-10-1
• 分子行输入简码 SMILES: C6=C(C(NC5=C(C(OC4C3(C2(C(C(C1C(C1(C)C)CC2C)C=C(C3O)COC(=O)C)=O)C=C4C)O)=O)C=CC=C5)=O)C(=C(O)C=C6)NC(C7=CC=CC=C7N(C)C)=O
• 国际化学标识码 InChI: 1S/C45H49N3O10/c1-23-21-44-24(2)19-31-35(43(31,4)5)30(38(44)52)20-26(22-57-25(3)49)37(51)45(44,56)39(23)58-42(55)27-13-8-10-16-32(27)46-41(54)29-15-12-18-34(50)36(29)47-40(53)28-14-9-11-17-33(28)48(6)7/h8-18,20-21,24,30-31,35,37,39,50-51,56H,19,22H2,1-7H3,(H,46,54)(H,47,53)
• 国际化学标识检索码 InChIKey: VTLYZTRDIRBJDH-UHFFFAOYSA-N