亚阿克拉霉素T
[CAS# 1404-52-0]

基本信息

• 产品名称: 亚阿克拉霉素T
• 英文名: betaclamycin T
• 别名: (7S,9R,10R)-7-[(2R,4S,5S,6S)-4-Dimethylamino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-9-Ethyl-4,6,9,10,11-Pentahydroxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7S,9R,10R)-7-[[(2R,4S,5S,6S)-4-Dimethylamino-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-9-Ethyl-4,6,9,10,11-Pentahydroxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7S,9R,10R)-7-[(2R,4S,5S,6S)-4-Dimethylamino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-9-Ethyl-4,6,9,10,11-Pentahydroxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone
• 分子式: C₂₈H₃₃NO₁₀
• 分子量: 543.57
• CAS 登录号: 1404-52-0
• 分子行输入简码 SMILES: [C@H]4(C3=C(C2=C(C(C1=C(C(=CC=C1)O)C2=O)=O)C(=C3[C@H]([C@@](O)(CC)C4)O)O)O)O[C@@H]5O[C@H]([C@@H](O)[C@H](C5)N(C)C)C
• 国际化学标识码 InChI: 1S/C28H33NO10/c1-5-28(37)10-15(39-16-9-13(29(3)4)22(31)11(2)38-16)18-21(27(28)36)26(35)19-20(25(18)34)24(33)17-12(23(19)32)7-6-8-14(17)30/h6-8,11,13,15-16,22,27,30-31,34-37H,5,9-10H2,1-4H3/t11-,13-,15-,16-,22+,27+,28+/m0/s1
• 国际化学标识检索码 InChIKey: HINUXGZHCXYZMB-DJNFHWKQSA-N

物理化学性质

• 密度: 1.55g/cm³ （计算值）
• 沸点: 686.724°C at 760 mmHg （计算值）
• 闪点: 369.118°C （计算值）