(1S,2R,3S,4S,5R,8R,9R,11S)-8-乙基-4-[(2R,4R,5S,6S)-5-羟基-4-甲氧基-4,6-二甲基四氢吡喃-2-基]氧基-2-[(2S,3R,4S,6R)-3-羟基-6-甲基-4-(甲基-丙-2-基氨基)四氢吡喃-2-基]氧基-9-甲氧基-1,3,5,9,11,13-六甲基-7,15-二氧杂双环[10.2.1]十五碳-12-烯-6,10-二酮
[CAS# 154738-42-8]

基本信息

• 产品名称: (1S,2R,3S,4S,5R,8R,9R,11S)-8-乙基-4-[(2R,4R,5S,6S)-5-羟基-4-甲氧基-4,6-二甲基四氢吡喃-2-基]氧基-2-[(2S,3R,4S,6R)-3-羟基-6-甲基-4-(甲基-丙-2-基氨基)四氢吡喃-2-基]氧基-9-甲氧基-1,3,5,9,11,13-六甲基-7,15-二氧杂双环[10.2.1]十五碳-12-烯-6,10-二酮
• 英文名: (1S,2R,3S,4S,5R,8R,9R,11S)-8-Ethyl-4-[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyloxan-2-Yl]Oxy-2-[(2S,3R,4S,6R)-3-Hydroxy-6-Methyl-4-(Methyl-Propan-2-Ylamino)Oxan-2-Yl]Oxy-9-Methoxy-1,3,5,9,11,13-Hexamethyl-7,15-Dioxabicyclo[10.2.1]Pentadec-12-Ene-6,10-Dione
• 别名: (1S,2R,3S,4S,5R,8R,9R,11S)-8-Ethyl-2-[(2S,3R,4S,6R)-3-Hydroxy-4-(Isopropyl-Methyl-Amino)-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4-[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyl-Tetrahydropyran-2-Yl]Oxy-9-Methoxy-1,3,5,9,11,13-Hexamethyl-7,15-Dioxabicyclo[10.2.1]Pentadec-12-Ene-6,10-Dione; (1S,2R,3S,4S,5R,8R,9R,11S)-8-Ethyl-2-[[(2S,3R,4S,6R)-3-Hydroxy-4-(Isopropyl-Methylamino)-6-Methyl-2-Tetrahydropyranyl]Oxy]-4-[[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyl-2-Tetrahydropyranyl]Oxy]-9-Methoxy-1,3,5,9,11,13-Hexamethyl-7,15-Dioxabicyclo[10.2.1]Pentadec-12-Ene-6,10-Dione; (1S,2R,3S,4S,5R,8R,9R,11S)-8-Ethyl-2-[(2S,3R,4S,6R)-3-Hydroxy-4-(Isopropyl-Methyl-Amino)-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4-[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyl-Tetrahydropyran-2-Yl]Oxy-9-Methoxy-1,3,5,9,11,13-Hexamethyl-7,15-Dioxabicyclo[10.2.1]Pentadec-12-Ene-6,10-Quinone
• 分子式: C₄₀H₆₉NO₁₂
• 分子量: 755.98
• CAS 登录号: 154738-42-8
• 分子行输入简码 SMILES: [C@H]4(O[C@@H]1O[C@@H](C[C@H](N(C(C)C)C)[C@H]1O)C)[C@]2(OC(=C(C2)C)[C@@H](C(=O)[C@](OC)([C@H](OC(=O)[C@@H]([C@@H](O[C@@H]3O[C@H]([C@H](O)[C@](OC)(C3)C)C)[C@@H]4C)C)CC)C)C)C
• 国际化学标识码 InChI: 1S/C40H69NO12/c1-16-28-40(12,47-15)33(43)23(6)31-21(4)18-39(11,53-31)35(52-37-30(42)27(17-22(5)48-37)41(13)20(2)3)24(7)32(25(8)36(45)50-28)51-29-19-38(10,46-14)34(44)26(9)49-29/h20,22-30,32,34-35,37,42,44H,16-19H2,1-15H3/t22-,23+,24+,25-,26+,27+,28-,29+,30-,32+,34+,35-,37+,38-,39+,40-/m1/s1
• 国际化学标识检索码 InChIKey: BELMMAAWNYFCGF-AQBNEDITSA-N

物理化学性质

• 密度: 1.2±0.1g/cm³ （计算值）
• 沸点: 805.2±65.0°C at 760 mmHg （计算值）
• 闪点: 440.8±34.3°C （计算值）