Roburin A

Roburin A is a tannin found in oak wood (Quercus robur and Quercus petraea^[1] or Quercus alba^[2]) or oak cork (Quercus suber^[3]).

Roburin A

Chemical structure of roburin A
Identifiers
CAS Number	132864-75-6 N
3D model (JSmol)	Interactive image
ChemSpider	68024617
PubChem CID	101670390
InChI InChI=1S/C82H50O51/c83-13-1-8-20(46(93)41(13)88)21-9(2-14(84)42(89)47(21)94)76(117)128-67-18(6-124-73(8)114)126-74(115)10-3-15(85)43(90)48(95)22(10)26-36-28(54(101)62(109)52(26)99)29-38-33(59(106)65(112)55(29)102)34(69(130-79(38)120)71(67)132-80(36)121)32-35-25(51(98)64(111)58(32)105)24-12(5-17(87)45(92)50(24)97)77(118)129-68-19(7-125-78(35)119)127-75(116)11-4-16(86)44(91)49(96)23(11)27-37-30(56(103)63(110)53(27)100)31-39-40(60(107)66(113)57(31)104)61(108)70(131-82(39)123)72(68)133-81(37)122/h1-5,18-19,34,61,67-72,83-113H,6-7H2/t18-,19+,34+,61+,67-,68+,69-,70-,71+,72+/m0/s1 Key: QTCMAUFCWPWEDU-DMXGXNKNSA-N
SMILES C1[C@H]2[C@@H]([C@@H]3[C@@H]4[C@@H](C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)C8=C(C(=C(C9=C8C(=O)OC[C@@H]2[C@H]([C@@H]3[C@@H]4[C@@H](C5=C(C(=C(C(=C5C(=O)O4)C4=C(C(=C(C(=C4C(=O)O3)C3=C(C(=C(C=C3C(=O)O2)O)O)O)O)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C29)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O
Properties
Chemical formula	C82H50O51
Molar mass	1851.251 g·mol−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is YN ?) Infobox references

It is a dimeric compound, composed of two vescalagin subunits probably linked through an ether bond between the diphenoyl group (hexahydroxydiphenic acid or HHDP) of one subunit and the triphenoyl moiety (nonahydroxytriphenic acid) of the other one.^[4]