Ecg-tetramer

Structural Information

Molecular Formula

C₈₈H₆₆O₄₀

SMILES

C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@H]3[C@H]([C@H](OC4=C3C(=CC(=C4[C@@H]5[C@H]([C@H](OC6=C(C(=CC(=C56)O)O)[C@H]7[C@H]([C@H](OC8=CC(=CC(=C78)O)O)C9=CC(=C(C=C9)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)C1=CC(=C(C=C1)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O

InChI

InChI=1S/C88H66O40/c89-35-21-46(99)62-60(22-35)121-76(28-2-6-38(91)43(96)10-28)82(126-86(118)32-15-54(107)72(114)55(108)16-32)68(62)64-48(101)25-50(103)66-70(84(128-88(120)34-19-58(111)74(116)59(112)20-34)78(124-80(64)66)30-4-8-40(93)45(98)12-30)67-51(104)26-49(102)65-69(83(127-87(119)33-17-56(109)73(115)57(110)18-33)77(125-81(65)67)29-3-7-39(92)44(97)11-29)63-47(100)24-41(94)36-23-61(122-85(117)31-13-52(105)71(113)53(106)14-31)75(123-79(36)63)27-1-5-37(90)42(95)9-27/h1-22,24-26,61,68-70,75-78,82-84,89-116H,23H2/t61-,68+,69-,70-,75-,76-,77-,78-,82-,83-,84-/m1/s1

InChIKey

YBGRRQQCEKETOG-RVKAWNFYSA-N

Compound name

[(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

Related CIDs

• CID 16197484