(3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,35S)-3-[(2R,3S,4S,5S,6R)-4-[[N-环己基-N'-[2-(4-甲基吗啉-4-鎓-4-基)乙基]甲脒基]氨基]-3,5-二羟基-6-甲基四氢吡喃-2-基]氧基-19,25,27,29,32,33,35,37-八羟基-18,20,21-三甲基-23-氧代-22,39-二氧杂双环[33.3.1]三十九碳-4,6,8,10,12,14,16-七烯-38-羧酸甲酯
[CAS# 79451-27-7]

基本信息

• 产品名称: (3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,35S)-3-[(2R,3S,4S,5S,6R)-4-[[N-环己基-N'-[2-(4-甲基吗啉-4-鎓-4-基)乙基]甲脒基]氨基]-3,5-二羟基-6-甲基四氢吡喃-2-基]氧基-19,25,27,29,32,33,35,37-八羟基-18,20,21-三甲基-23-氧代-22,39-二氧杂双环[33.3.1]三十九碳-4,6,8,10,12,14,16-七烯-38-羧酸甲酯
• 英文名: Methyl (3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,35S)-3-[(2R,3S,4S,5S,6R)-4-[[N-Cyclohexyl-N'-[2-(4-Methylmorpholin-4-Ium-4-Yl)Ethyl]Carbamimidoyl]Amino]-3,5-Dihydroxy-6-Methyloxan-2-Yl]Oxy-19,25,27,29,32,33,35,37-Octahydroxy-18,20,21-Trimethyl-23-Oxo-22,39-Dioxabicyclo[33.3.1]Nonatriaconta-4,6,8,10,12,14,16-Heptaene-38-Carboxylate
• 别名: Methyl (3R,4E,6E,8E,10E,12E,14E,16Z,18S,19R,20R,21S,35S)-3-[(2R,3S,4S,5S,6R)-4-[[N-Cyclohexyl-N'-[2-(4-Methylmorpholin-4-Ium-4-Yl)Ethyl]Carbamimidoyl]Amino]-3,5-Dihydroxy-6-Methyloxan-2-Yl]Oxy-19,25,27,29,32,33,35,37-Octahydroxy-18,20,21-Trimethyl-23-Oxo-22,39-Dioxabicyclo[33.3.1]Nonatriaconta-4,6,8,10,12,14,16-Heptaene-38-Carboxylate; Methyl (3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,35S)-3-[(2R,3S,4S,5S,6R)-4-[[N-Cyclohexyl-N'-[2-(4-Methylmorpholin-4-Ium-4-Yl)Ethyl]Carbamimidoyl]Amino]-3,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-19,25,27,29,32,33,35,37-Octahydroxy-18,20,21-Trimethyl-23-Oxo-22,39-Dioxabicyclo[33.3.1]Nonatriaconta-4,6,8,10,12,14,16-Heptaene-38-Carboxylate; Methyl (3R,4E,6E,8E,10E,12E,14E,16Z,18S,19R,20R,21S,35S)-3-[(2R,3S,4S,5S,6R)-4-[[N-Cyclohexyl-N'-[2-(4-Methylmorpholin-4-Ium-4-Yl)Ethyl]Carbamimidoyl]Amino]-3,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-19,25,27,29,32,33,35,37-Octahydroxy-18,20,21-Trimethyl-23-Oxo-22,39-Dioxabicyclo[33.3.1]Nonatriaconta-4,6,8,10,12,14,16-Heptaene-38-Carboxylate
• 分子式: C₆₂H₁₀₁N₄O₁₈
• 分子量: 1190.50
• CAS 登录号: 79451-27-7
• 分子行输入简码 SMILES: [C@H]3([C@@H]([C@H](O[C@@H]\2CC1C(C(O)C[C@](O1)(CC(C(CCC(CC(CC(CC(O[C@H]([C@@H]([C@@H]([C@H](\C=C/C=C\C=C/C=C\C=C/C=C\C=C2)C)O)C)C)=O)O)O)O)O)O)O)C(=O)OC)O[C@@H]([C@H]3O)C)O)NC(NC4CCCCC4)=NCC[N+]5(CCOCC5)C
• 国际化学标识码 InChI: 1S/C62H101N4O18/c1-40-22-18-15-13-11-9-7-8-10-12-14-16-21-25-48(83-60-58(76)55(57(75)43(4)82-60)65-61(64-44-23-19-17-20-24-44)63-28-29-66(5)30-32-80-33-31-66)37-52-54(59(77)79-6)51(72)39-62(78,84-52)38-50(71)49(70)27-26-45(67)34-46(68)35-47(69)36-53(73)81-42(3)41(2)56(40)74/h7-16,18,21-22,25,40-52,54-58,60,67-72,74-76,78H,17,19-20,23-24,26-39H2,1-6H3,(H2,63,64,65)/q+1/b8-7-,11-9-,12-10-,15-13-,16-14-,22-18-,25-21-/t40-,41-,42-,43+,45?,46?,47?,48-,49?,50?,51?,52?,54?,55-,56+,57+,58-,60-,62+/m0/s1
• 国际化学标识检索码 InChIKey: AKRJPNOIEAJRLD-ACQLZXBDSA-N