茶单宁H
[CAS# 148159-86-8]

基本信息

• 产品名称: 茶单宁H
• 英文名: Camelliatannin H
• 别名: Aids188104; D-Glucose, Cyclic 2->2:3->2'-(4-(6-Carboxy-2,3,4-Trihydroxyphenoxy)-4',5,5',6,6'-Pentahydroxy(1,1'-Biphenyl)-2,2'-Dicarboxylate) Cyclic 4,6-(4,4',5,5',6,6'-Hexahydroxy(1,1'-Biphenyl)-2,2'-Dicarboxylate), 2-Ester With D-Glucose Cyclic 4,6-(4,4',5,5',6,6'-Hexahydroxy(1,1'-Biphenyl)-2,2'-Dicarboxylate) 3-(3,4,5-Trihydroxybenzoate), (2(S(S)),4(S))-; Camelliatannin H
• 分子式: C₆₉H₅₀O₄₃
• 分子量: 1567.13
• CAS 登录号: 148159-86-8
• 分子行输入简码 SMILES: C1=C(C(=C(C3=C1C(OCC2OC(O)C%13C(C2OC(C4=C3C(=C(C(=C4)O)O)O)=O)OC(=O)C5=CC(=C(O)C(=C5C%12=C(O)C(=C(OC6=C(O)C(=C(O)C=C6C(=O)OC%10C(O)OC9COC(=O)C7=CC(=C(O)C(=C7C8=C(O)C(=C(O)C=C8C(=O)OC9C%10OC(=O)C%11=CC(=C(O)C(=C%11)O)O)O)O)O)O)C=C%12C(=O)C%13)O)O)O)=O)O)O)O
• 国际化学标识码 InChI: 1S/C69H50O43/c70-22-8-21-56(57-32(106-67(21)100)11-103-62(95)15-3-25(73)41(80)48(87)35(15)38-18(65(98)109-57)6-28(76)44(83)51(38)90)108-64(97)17-5-27(75)43(82)50(89)37(17)34-14(22)10-31(47(86)53(34)92)105-55-20(9-30(78)46(85)54(55)93)68(101)112-60-59(111-61(94)13-1-23(71)40(79)24(72)2-13)58-33(107-69(60)102)12-104-63(96)16-4-26(74)42(81)49(88)36(16)39-19(66(99)110-58)7-29(77)45(84)52(39)91/h1-7,9-10,21,32-33,56-60,67,69,71-93,100,102H,8,11-12H2
• 国际化学标识检索码 InChIKey: MSRCJTQIFIFKEZ-UHFFFAOYSA-N

物理化学性质

• 密度: 2.26g/cm³ （计算值）