(1S,3S,4S,4aS,6aS,7E,10S,11E,12aR,13S,16aS,20aS,20bR)-13-(乙酰氧基)-1,2,3,4,4a,6a,9,10,12a,13,16,20,20a,20b-十四氢-4,21-二羟基-1,3,7,11,20a-五甲基-18,20-二氧代-10-[[2,3,4,6-四脱氧-4-[(甲氧羰基)氨基]-3-C-甲基-3-硝基-beta-D-吡喃木己糖基]氧基]-18H-16a,19-亚甲桥-16aH-苯并[b]萘并[2,1-j]氧杂环十四碳七烯-15-甲醛
[CAS# 81319-48-4]

基本信息

• 产品名称: (1S,3S,4S,4aS,6aS,7E,10S,11E,12aR,13S,16aS,20aS,20bR)-13-(乙酰氧基)-1,2,3,4,4a,6a,9,10,12a,13,16,20,20a,20b-十四氢-4,21-二羟基-1,3,7,11,20a-五甲基-18,20-二氧代-10-[[2,3,4,6-四脱氧-4-[(甲氧羰基)氨基]-3-C-甲基-3-硝基-beta-D-吡喃木己糖基]氧基]-18H-16a,19-亚甲桥-16aH-苯并[b]萘并[2,1-j]氧杂环十四碳七烯-15-甲醛
• 英文名: (1S,3S,4S,4aS,6aS,7E,10S,11E,12aR,13S,16aS,20aS,20bR)-13-(acetyloxy)-1,2,3,4,4a,6a,9,10,12a,13,16,20,20a,20b-tetradecahydro-4,21-dihydroxy-1,3,7,11,20a-pentamethyl-18,20-dioxo-10-[[2,3,4,6-tetradeoxy-4-[(methoxycarbonyl)amino]-3-C-methyl-3-nitro-beta-D-xylo-hexopyranosyl]oxy]-18H-16a,19-metheno-16aH-benzo[b]naphth[2,1-j]oxacyclotetradecin-15-carboxaldehyde
• 别名: 21-O-Acetyl-17-O-tetronitrosyl tetronolide; Antibiotic F1 monoacetate; Tetronolide, 10-O-(4-(acetylamino)-2,3,4,6-tetradeoxy-3-C-methyl-3-nitrohexopyranosyl)-, 13-acetate
• 分子式: C₄₃H₅₆N₂O₁₄
• 分子量: 824.91
• CAS 登录号: 81319-48-4
• 分子行输入简码 SMILES: [O-][N+](=O)[C@@]6([C@@H](NC(=O)OC)[C@H](O[C@@H](O[C@@H]2/C(=C/[C@H]5C1(OC(\O)=C(/C1=O)C(=O)[C@@]3(C)[C@@H]4[C@@H](C)C[C@H](C)[C@H](O)[C@H]4/C=C\[C@H]3C(=C/C2)\C)CC(/C=O)=C\[C@@H]5OC(=O)C)C)C6)C)C
• 国际化学标识码 InChI: 1S/C43H56N2O14/c1-20-10-13-30(58-32-18-41(7,45(53)54)36(24(5)56-32)44-40(52)55-9)21(2)15-29-31(57-25(6)47)16-26(19-46)17-43(29)38(50)33(39(51)59-43)37(49)42(8)28(20)12-11-27-34(42)22(3)14-23(4)35(27)48/h10-12,15-16,19,22-24,27-32,34-36,48,51H,13-14,17-18H2,1-9H3,(H,44,52)/b20-10-,21-15+/t22-,23-,24+,27-,28-,29+,30-,31-,32-,34+,35-,36-,41-,42+,43?/m0/s1
• 国际化学标识检索码 InChIKey: FNACPXIUVVSVAQ-NHTIRLILSA-N

物理化学性质

• 密度: 1.339g/cm³ （计算值）
• 沸点: 913.85°C at 760 mmHg （计算值）
• 闪点: 506.478°C （计算值）