(5S-反式)-N-[[5-[(6-脱氧-3-O-b-D-吡喃木糖基-b-D-吡喃半乳糖基)氧基]-5,6,8,13-四氢-1,6,9,11,14-五羟基-3-甲基-8,13-二氧代苯并[a]丁省-2-基]羰基]-甘氨酸
[CAS# 150693-43-9]

基本信息

• 产品名称: (5S-反式)-N-[[5-[(6-脱氧-3-O-b-D-吡喃木糖基-b-D-吡喃半乳糖基)氧基]-5,6,8,13-四氢-1,6,9,11,14-五羟基-3-甲基-8,13-二氧代苯并[a]丁省-2-基]羰基]-甘氨酸
• 英文名: (5S-trans)-N-[[5-[(6-Deoxy-3-O-b-D-xylopyranosyl-b-D-galactopyranosyl)oxy]-5,6,8,13-tetrahydro-1,6,9,11,14-pentahydroxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl]carbonyl]-Glycine
• 别名: Aids029930; Glycine, N-[[5-[(6-Deoxy-3-O-.Beta.-D-Xylopyranosyl-.Beta.-D-Galactopyranosyl)Oxy]-5,6,8,13-Tetrahydro-1,6,9,11,14-Pentahydroxy-3-Methyl-8,13-Dioxobenzo[A]Naphthacen-2-Yl]Carbonyl]-, (5S-Trans)-; Glycine, N-((5-((6-Deoxy-3-O-Beta-D-Xylopyranosyl-Beta-D-Galactopyranosyl)Oxy)-5,6,8,13-Tetrahydro-1,6,9,11,14-Pentahydroxy-3-Methyl-8,13-Dioxobenzo(A)Naphthacen-2-Yl)Carbonyl)-, (5S-Trans)-
• 分子式: C₃₇H₃₇NO₁₉
• 分子量: 799.69
• CAS 登录号: 150693-43-9
• 分子行输入简码 SMILES: [C@H]4(O[C@@H]2O[C@@H]([C@H](O)[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H]2O)C)C7=C(C3=C(O)C5=C(C=C3[C@@H]4O)C(=O)C6=C(C5=O)C=C(O)C=C6O)C(=C(C(=C7)C)C(=O)NCC(=O)O)O
• 国际化学标识码 InChI: 1S/C37H37NO19/c1-9-3-15-22(29(49)19(9)35(53)38-7-18(42)43)21-13(6-14-23(30(21)50)26(46)12-4-11(39)5-16(40)20(12)25(14)45)27(47)33(15)56-37-32(52)34(24(44)10(2)55-37)57-36-31(51)28(48)17(41)8-54-36/h3-6,10,17,24,27-28,31-34,36-37,39-41,44,47-52H,7-8H2,1-2H3,(H,38,53)(H,42,43)/t10-,17-,24+,27+,28+,31-,32-,33+,34+,36+,37+/m1/s1
• 国际化学标识检索码 InChIKey: BFYQOBJTZWZTHU-YJZWZTCPSA-N

物理化学性质

• 密度: 1.856g/cm³ （计算值）
• 沸点: 1170.839°C at 760 mmHg （计算值）
• 闪点: 661.899°C （计算值）