[(3R,4S,5R,6S)-6-[8-氯-2-羟基-3-[[4-羟基-3-(3-甲基丁-2-烯基)苯甲酰基]氨基]-4-氧代苯并吡喃-7-基]氧基-5-羟基-3-甲氧基-2,2-二甲基四氢吡喃-4-基]5-甲基-1H-吡咯-2-羧酸酯
[CAS# 39868-96-7]

基本信息

• 产品名称: [(3R,4S,5R,6S)-6-[8-氯-2-羟基-3-[[4-羟基-3-(3-甲基丁-2-烯基)苯甲酰基]氨基]-4-氧代苯并吡喃-7-基]氧基-5-羟基-3-甲氧基-2,2-二甲基四氢吡喃-4-基]5-甲基-1H-吡咯-2-羧酸酯
• 英文名: [(3R,4S,5R,6S)-6-[8-Chloro-2-Hydroxy-3-[[4-Hydroxy-3-(3-Methylbut-2-Enyl)Benzoyl]Amino]-4-Oxochromen-7-Yl]Oxy-5-Hydroxy-3-Methoxy-2,2-Dimethyloxan-4-Yl] 5-Methyl-1H-Pyrrole-2-Carboxylate
• 别名: [(3R,4S,5R,6S)-6-[8-Chloro-2-Hydroxy-3-[[4-Hydroxy-3-(3-Methylbut-2-Enyl)Benzoyl]Amino]-4-Oxo-Chromen-7-Yl]Oxy-5-Hydroxy-3-Methoxy-2,2-Dimethyl-Tetrahydropyran-4-Yl] 5-Methyl-1H-Pyrrole-2-Carboxylate; 5-Methyl-1H-Pyrrole-2-Carboxylic Acid [(3R,4S,5R,6S)-6-[[8-Chloro-2-Hydroxy-3-[[[4-Hydroxy-3-(3-Methylbut-2-Enyl)Phenyl]-Oxomethyl]Amino]-4-Oxo-7-Chromenyl]Oxy]-5-Hydroxy-3-Methoxy-2,2-Dimethyl-4-Tetrahydropyranyl] Ester; 5-Methyl-1H-Pyrrole-2-Carboxylic Acid [(3R,4S,5R,6S)-6-[8-Chloro-2-Hydroxy-3-[[4-Hydroxy-3-(3-Methylbut-2-Enyl)Benzoyl]Amino]-4-Keto-Chromen-7-Yl]Oxy-5-Hydroxy-3-Methoxy-2,2-Dimethyl-Tetrahydropyran-4-Yl] Ester
• 分子式: C₃₅H₃₇ClN₂O₁₁
• 分子量: 697.14
• CAS 登录号: 39868-96-7
• 分子行输入简码 SMILES: [C@H]4(OC)C(O[C@@H](OC1=C(Cl)C2=C(C=C1)C(=O)C(=C(O2)O)NC(=O)C3=CC(=C(O)C=C3)CC=C(C)C)[C@H](O)[C@@H]4OC(=O)C5=CC=C([NH]5)C)(C)C
• 国际化学标识码 InChI: 1S/C35H37ClN2O11/c1-16(2)7-9-18-15-19(10-13-22(18)39)31(42)38-25-26(40)20-11-14-23(24(36)28(20)47-33(25)44)46-34-27(41)29(30(45-6)35(4,5)49-34)48-32(43)21-12-8-17(3)37-21/h7-8,10-15,27,29-30,34,37,39,41,44H,9H2,1-6H3,(H,38,42)/t27-,29+,30-,34-/m1/s1
• 国际化学标识检索码 InChIKey: NOLDNICYUPLDOY-LFLQOBSNSA-N

物理化学性质

• 密度: 1.464g/cm³ （计算值）
• 沸点: 893.812°C at 760 mmHg （计算值）
• 闪点: 494.36°C （计算值）

参考文献

• (1): Pieter C. Dorrestein and Neil L. Kelleher. Dissecting non-ribosomal and polyketide biosynthetic machineries using electrospray ionization Fourier-Transform mass spectrometry, Nat. Prod. Rep., 2006, 23, 893.