N-[(E,3R,4R,5R,9S,10S,11S)-11-[(1S,3S,4S,5S,7R,8S,9R,12E,14E,17S,19S)-4,17-二羟基-3,5,7-三甲氧基-4,8,14-三甲基-11-氧代-10,23-二氧杂双环[17.3.1]二十三碳-12,14,20-三烯-9-基]-10-羟基-4-甲氧基-3,5,9-三甲基-6-氧代十二碳-1-烯基]-N-甲基甲酰胺
[CAS# 105694-31-3]

基本信息

• 产品名称: N-[(E,3R,4R,5R,9S,10S,11S)-11-[(1S,3S,4S,5S,7R,8S,9R,12E,14E,17S,19S)-4,17-二羟基-3,5,7-三甲氧基-4,8,14-三甲基-11-氧代-10,23-二氧杂双环[17.3.1]二十三碳-12,14,20-三烯-9-基]-10-羟基-4-甲氧基-3,5,9-三甲基-6-氧代十二碳-1-烯基]-N-甲基甲酰胺
• 英文名: N-[(E,3R,4R,5R,9S,10S,11S)-11-[(1S,3S,4S,5S,7R,8S,9R,12E,14E,17S,19S)-4,17-Dihydroxy-3,5,7-Trimethoxy-4,8,14-Trimethyl-11-Oxo-10,23-Dioxabicyclo[17.3.1]Tricosa-12,14,20-Trien-9-Yl]-10-Hydroxy-4-Methoxy-3,5,9-Trimethyl-6-Oxododec-1-Enyl]-N-Methylformamide
• 别名: N-[(E,3R,4R,5R,9S,10S,11S)-11-[(1S,3S,4S,5S,7R,8S,9R,12E,14E,17S,19S)-4,17-Dihydroxy-3,5,7-Trimethoxy-4,8,14-Trimethyl-11-Oxo-10,23-Dioxabicyclo[17.3.1]Tricosa-12,14,20-Trien-9-Yl]-10-Hydroxy-4-Methoxy-3,5,9-Trimethyl-6-Oxo-Dodec-1-Enyl]-N-Methyl-Formamide; N-[(E,3R,4R,5R,9S,10S,11S)-11-[(1S,3S,4S,5S,7R,8S,9R,12E,14E,17S,19S)-4,17-Dihydroxy-11-Keto-3,5,7-Trimethoxy-4,8,14-Trimethyl-10,23-Dioxabicyclo[17.3.1]Tricosa-12,14,20-Trien-9-Yl]-10-Hydroxy-6-Keto-4-Methoxy-3,5,9-Trimethyl-Dodec-1-Enyl]-N-Methyl-Formamide; N-[(E,3R,4R,5R,9S,10S,11S)-11-[(1S,3S,4S,5S,7R,8S,9R,12E,14E,17S,19S)-4,17-Dihydroxy-3,5,7-Trimethoxy-4,8,14-Trimethyl-11-Oxo-10,23-Dioxabicyclo[17.3.1]Tricosa-12,14,20-Trien-9-Yl]-10-Hydroxy-4-Methoxy-3,5,9-Trimethyl-6-Oxo-Dodec-1-Enyl]-N-Methyl-Methanamide
• 分子式: C₄₅H₇₅NO₁₂
• 分子量: 822.09
• CAS 登录号: 105694-31-3
• 分子行输入简码 SMILES: [C@@H]1(OC(=O)\C=C\C(=C\C[C@H](O)C[C@@H]2O[C@H](C[C@H](OC)[C@](O)([C@@H](OC)C[C@@H](OC)[C@@H]1C)C)CC=C2)C)[C@H]([C@@H](O)[C@H](CCC(=O)[C@@H]([C@H](OC)[C@@H](\C=C\N(C=O)C)C)C)C)C
• 国际化学标识码 InChI: 1S/C45H75NO12/c1-28-16-19-34(48)24-35-14-13-15-36(57-35)25-39(54-10)45(7,52)40(55-11)26-38(53-9)32(5)44(58-41(50)21-17-28)33(6)42(51)29(2)18-20-37(49)31(4)43(56-12)30(3)22-23-46(8)27-47/h13-14,16-17,21-23,27,29-36,38-40,42-44,48,51-52H,15,18-20,24-26H2,1-12H3/b21-17+,23-22+,28-16+/t29-,30+,31-,32-,33-,34-,35+,36-,38+,39-,40-,42-,43+,44-,45-/m0/s1
• 国际化学标识检索码 InChIKey: DWQQWNRHLJPIDV-WGJWUCMUSA-N

物理化学性质

• 密度: 1.129g/cm³ （计算值）
• 沸点: 901.448°C at 760 mmHg （计算值）
• 闪点: 498.978°C （计算值）