95263-70-0 (木鞣质B,D-Glucose, cyclic4,6-[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]2-[2-[(5,10-dihydro-3,7,8-trihydroxy-5,10-dioxo[1]benzopyrano[5,4,3-cde][1]benzopyran-2-yl)oxy]-3,4,5-trihydroxybenzoate]3-(3,4,5-trihydroxybenzoate) (9CI))

快速询单

结构式：

木鞣质BMOL文件

CAS号：

95263-70-0

中文名称：

木鞣质B

英文名称：

分子式：

C₄₈H₃₀O₃₀

分子量：

1086.73381662369

木鞣质B(95263-70-0)名称与标识符

名称

中文别名：

木鞣质B;

英文别名：

D-Glucose, cyclic4,6-[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]2-[2-[(5,10-dihydro-3,7,8-trihydroxy-5,10-dioxo[1]benzopyrano[5,4,3-cde][1]benzopyran-2-yl)oxy]-3,4,5-trihydroxybenzoate]3-(3,4,5-trihydroxybenzoate) (9CI);Cornusiin B;D-Glucose, cyclic4,6-[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]2-[2-[(5,10-dihydro-3,7,8-trihydroxy-;D-Glucose, cyclic 4,6-(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 2-(2-((5,10-dihydro-3,7,8-trihydroxy-5,10-dioxo(1)benzopyrano(5,4,3-cde)-(1)benzopyran-2-yl)oxy)-3,4,5-trihydroxybenzoate) 3-(3,4,5-trihydroxybenzoate), stereoisomer;95263-70-0;

标识符

InChIKey：

IBUZLJOVINHPCM-UHFFFAOYSA-N

Inchi：

1S/C48H30O30/c49-8-24(74-48(71)15-6-20(54)32(60)37(65)38(15)73-23-7-14-28-27-13(46(69)78-42(28)34(23)62)5-21(55)33(61)41(27)77-47(14)70)40(76-43(66)10-1-16(50)29(57)17(51)2-10)39-22(56)9-72-44(67)11-3-18(52)30(58)35(63)25(11)26-12(45(68)75-39)4-19(53)31(59)36(26)64/h1-8,22,24,39-40,50-65H,9H2

SMILES：

O1C(C2C=C(C(=C(C=2C2C(=C(C(=CC=2C(=O)OCC(C1C(C(C=O)OC(C1=CC(=C(C(=C1OC1C=C2C(=O)OC3=C(C(=CC4C(=O)OC(C=1O)=C2C=43)O)O)O)O)O)=O)OC(C1C=C(C(=C(C=1)O)O)O)=O)O)O)O)O)O)O)O)=O