阿霉素醇
[CAS# 76155-56-1]

基本信息

• 产品名称: 阿霉素醇
• 英文名: Epirubicinol
• 别名: (7S,9S)-7-[(2R,4S,5R,6S)-4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-9-[(1S)-1,2-Dihydroxyethyl]-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7S,9S)-7-[[(2R,4S,5R,6S)-4-Amino-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-9-[(1S)-1,2-Dihydroxyethyl]-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7S,9S)-7-[(2R,4S,5R,6S)-4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-9-[(1S)-1,2-Dihydroxyethyl]-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone
• 分子式: C₂₇H₃₁NO₁₁
• 分子量: 545.54
• CAS 登录号: 76155-56-1
• 分子行输入简码 SMILES: [C@@H]3(O[C@@H]1O[C@H]([C@H](O)[C@@H](N)C1)C)C2=C(O)C5=C(C(=C2C[C@](O)(C3)[C@@H](O)CO)O)C(=O)C4=CC=CC(=C4C5=O)OC
• 国际化学标识码 InChI: 1S/C27H31NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15-17,22,29-31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,16-,17-,22-,27-/m0/s1
• 国际化学标识检索码 InChIKey: NKZRZOVSJNSBFR-QXAZHNFISA-N

物理化学性质

• 密度: 1.615g/cm³ （计算值）
• 沸点: 828.681°C at 760 mmHg （计算值）
• 闪点: 454.97°C （计算值）