108906-53-2 (木鞣质C,D-Glucose, cyclic 4®2':6®2-[(1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]3-(3,4,5-trihydroxybenzoate), 2-ester with D-glucose cyclic 4®2':6®2-[(1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]2,3-bis(3,4,5-trihydroxybenzoate), 2'-ester with D-glucose cyclic4,6-[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2)

快速询单

结构式：

木鞣质CMOL文件

CAS号：

108906-53-2

中文名称：

木鞣质C

英文名称：

D-Glucose, cyclic 4®2':6®2-[(1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]3-(3,4,5-trihydroxybenzoate), 2-ester with D-glucose cyclic 4®2':6®2-[(1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]2,3-bis(3,4,5-trihydroxybenzoate), 2'-ester with D-glucose cyclic4,6-[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2

分子式：

C₁₀₂H₇₄O₆₅

分子量：

2339.63999605179

木鞣质C(108906-53-2)名称与标识符

名称

中文别名：

木鞣质C;

英文别名：

D-Glucose, cyclic 4®2':6®2-[(1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy[1,1'-biphenyl]-2,2'-;2-[(1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]2,3-bis(3,4,5-trihydroxybenzoate), 2'-ester with D-glucose cyclic4,6-[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2;2-[(1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]3-(3,4,5-trihydroxybenzoate), 2-ester with D-glucose cyclic 4®Cornusiin C;D-Glucose, cyclic 4-2':6-2-(4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate)-3-(3,4,5-trihydroxybenzoate), 2-ester with D-glucose cyclic 4-2':(4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy(1,1'-biphenyl)-2,2'-dicarboylate) 2,3-bis(3,4,5-trihydroxybenzoate), 2'-ester with D-glucose cyclic 4,6-(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 3-(;108906-53-2;

标识符

InChIKey：

DKWBPKQHAPBPBK-IIJAWXDASA-N

Inchi：

1S/C102H74O65/c103-33-1-21(2-34(104)59(33)117)88(136)162-82-79-51(156-100(148)85(82)165-91(139)24-7-39(109)62(120)40(110)8-24)19-152-94(142)30-16-48(69(127)75(133)57(30)55-28(97(145)159-79)13-44(114)66(124)73(55)131)154-47-10-25(9-41(111)63(47)121)92(140)166-86-83(163-89(137)22-3-35(105)60(118)36(106)4-22)80-52(157-101(86)149)20-153-95(143)31-17-49(70(128)76(134)58(31)56-29(98(146)160-80)14-45(115)67(125)74(56)132)155-78-32(15-46(116)68(126)77(78)135)99(147)167-87-84(164-90(138)23-5-37(107)61(119)38(108)6-23)81-50(158-102(87)150)18-151-93(141)26-11-42(112)64(122)71(129)53(26)54-27(96(144)161-81)12-43(113)65(123)72(54)130/h1-17,50-52,79-87,100-135,148-150H,18-20H2/t50-,51?,52-,79-,80-,81-,82+,83+,84+,85-,86-,87-,100?,101?,102?/m1/s1

SMILES：

O1C([C@@H]([C@H]([C@H]2[C@H]1COC(C1C=C(C(=C(C=1C1C(=C(C(=CC=1C(=O)O2)O)O)O)O)O)OC1=C(C(=C(C=C1C(=O)O[C@H]1C(O)O[C@@H]2COC(C3C=C(C(=C(C=3C3C(=C(C(=CC=3C(=O)O[C@H]2[C@@H]1OC(C1C=C(C(=C(C=1)O)O)O)=O)O)O)O)O)O)O)=O)O)O)O)=O)OC(C1C=C(C(=C(C=1)O)O)O)=O)OC(C1C=C(C(=C(C=1)OC1C(=C(C2=C(C=1)C(=O)OCC1[C@H]([C@@H]([C@H](C(O)O1)OC(C1C=C(C(=C(C=1)O)O)O)=O)OC(C1C=C(C(=C(C=1)O)O)O)=O)OC(C1C=C(C(=C(C=12)O)O)O)=O)O)O)O)O)=O)O