大器霉素A
[CAS# 125622-12-0]

基本信息

• 产品名称: 大器霉素A
• 英文名: Dactylocycline A
• 别名: (2Z)-2-(Amino-Hydroxy-Methylene)-7-Chloro-4-Dimethylamino-4A,10,11,12A-Tetrahydroxy-6-[4-(Hydroxyamino)-5-Methoxy-4,6-Dimethyl-Tetrahydropyran-2-Yl]Oxy-8-Methoxy-6-Methyl-5,5A-Dihydro-4H-Tetracene-1,3,12-Trione; (2Z)-2-(Amino-Hydroxymethylene)-7-Chloro-4-Dimethylamino-4A,10,11,12A-Tetrahydroxy-6-[[4-(Hydroxyamino)-5-Methoxy-4,6-Dimethyl-2-Tetrahydropyranyl]Oxy]-8-Methoxy-6-Methyl-5,5A-Dihydro-4H-Tetracene-1,3,12-Trione; (2Z)-2-(Amino-Hydroxy-Methylidene)-7-Chloro-4-Dimethylamino-4A,10,11,12A-Tetrahydroxy-6-[4-(Hydroxyamino)-5-Methoxy-4,6-Dimethyl-Oxan-2-Yl]Oxy-8-Methoxy-6-Methyl-5,5A-Dihydro-4H-Tetracene-1,3,12-Trione
• 分子式: C₃₁H₄₀ClN₃O₁₃
• 分子量: 698.12
• CAS 登录号: 125622-12-0
• 分子行输入简码 SMILES: C5=C(O)C3=C(C(OC1OC(C(OC)C(NO)(C1)C)C)(C2CC4(O)C(O)(C(=O)C2=C3O)C(=O)\C(C(=O)C4N(C)C)=C(/O)N)C)C(=C5OC)Cl
• 国际化学标识码 InChI: 1S/C31H40ClN3O13/c1-11-26(46-7)28(2,34-44)10-15(47-11)48-29(3)12-9-30(42)23(35(4)5)22(38)18(27(33)41)25(40)31(30,43)24(39)16(12)21(37)17-13(36)8-14(45-6)20(32)19(17)29/h8,11-12,15,23,26,34,36-37,41-44H,9-10,33H2,1-7H3/b27-18-
• 国际化学标识检索码 InChIKey: OTEIMOGHZYBOGA-IMRQLAEWSA-N

物理化学性质

• 密度: 1.599g/cm³ （计算值）
• 沸点: 845.274°C at 760 mmHg （计算值）
• 闪点: 465.005°C （计算值）