3-[({(E)-[(9E,19E)-13-乙酰氧基-2,15,17,29-四羟基-11-甲氧基-3,7,12,14,16,18,22-七甲基-6,23,27-三氧代-8,30-二氧杂-24-氮杂四环[23.3.1.1^4,7.0^5,28]三十碳-1(28),2,4,9,19,21,25(29)-庚A烯-26-亚基]甲基}氨基)氧基]-2-苯丙酸
[CAS# 63950-99-2]

基本信息

• 产品名称: 3-[({(E)-[(9E,19E)-13-乙酰氧基-2,15,17,29-四羟基-11-甲氧基-3,7,12,14,16,18,22-七甲基-6,23,27-三氧代-8,30-二氧杂-24-氮杂四环[23.3.1.1^4,7.0^5,28]三十碳-1(28),2,4,9,19,21,25(29)-庚A烯-26-亚基]甲基}氨基)氧基]-2-苯丙酸
• 英文名: 3-[({(E)-[(9E,19E)-13-Acetoxy-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^4,7.0^5,28]triaconta-1(28),2,4,9,19,21,25(29)-hept aen-26-ylidene]methyl}amino)oxy]-2-phenylpropanoic acid
• 别名: 2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2H)-dione, 3-formyl-5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, 21-acetate, O-(β-carboxyphenethyl)oxime; 3-Formylrifamycin SV O-(β-carboxyphenethyl)oxime
• 分子式: C₄₇H₅₆N₂O₁₅
• 分子量: 888.95
• CAS 登录号: 63950-99-2
• 分子行输入简码 SMILES: O=C/2c3c5C(=O)C4(O/C=C/C(OC)C(C(OC(=O)C)C(C)C(O)C(C)C(O)C(\C=C\C=C(/C(=O)NC(/C\2=C\NOCC(c1ccccc1)C(=O)O)=C(\O)c3c(O)c(c5O4)C)C)C)C)C
• 国际化学标识码 InChI: 1S/C47H56N2O15/c1-22-14-13-15-23(2)45(57)49-36-30(20-48-62-21-31(46(58)59)29-16-11-10-12-17-29)40(54)33-34(41(36)55)39(53)27(6)43-35(33)44(56)47(8,64-43)61-19-18-32(60-9)24(3)42(63-28(7)50)26(5)38(52)25(4)37(22)51/h10-20,22,24-26,31-32,37-38,42,48,51-53,55H,21H2,1-9H3,(H,49,57)(H,58,59)/b14-13+,19-18+,23-15+,30-20+
• 国际化学标识检索码 InChIKey: YENRYACLYNQGJW-TZQGDKKGSA-N

物理化学性质

• 密度: 1.384g/cm³ （计算值）