Roburin A

Chemical compound From Wikipedia, the free encyclopedia

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]).

Quick facts Identifiers, Properties ...
Roburin A
Chemical structure of roburin A
Chemical structure of roburin A
Identifiers
3D model (JSmol)
ChemSpider
  • 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
  • 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
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).
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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]

References

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