Chem
J-GLOBAL ID：200907034963649977   Nikkaji number：J218.007C

β-D-Glucopyranose pentakis[3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoate]

β-D-グルコピラノースペンタキス[3,4-ジヒドロキシ-5-[(3,4,5-トリヒドロキシベンゾイル)オキシ]ベンゾアート]
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C76H52O46
Molecular formula furigana： C76-H52-O46
Molecular weight： 1701.206
InChI： InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76+/m1/s1
InChI key： LRBQNJMCXXYXIU-PPKXGCFTSA-N
SMILES： Oc1cc(cc(O)c1O)C(=O)Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1
Systematic name  (4)：
  • β-D-グルコピラノースペンタキス[3,4-ジヒドロキシ-5-[(3,4,5-トリヒドロキシベンゾイル)オキシ]ベンゾアート]
  • 1-O,2-O,3-O,4-O,6-O-ペンタキス[5-(3,4,5-トリヒドロキシベンゾイルオキシ)-3,4-ジヒドロキシベンゾイル]-β-D-グルコピラノース
  • 2,3-ジヒドロキシ-5-({[(2R,3R,4S,5R,6S)-3,4,5,6-テトラキス[3,4-ジヒドロキシ-5-(3,4,5-トリヒドロキシベンゾイルオキシ)ベンゾイルオキシ]オキサン-2-イル]メトキシ}カルボニル)フェニル 3,4,5-トリヒドロキシベンゾアート
  • 2,3-dihydroxy-5-({[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]oxan-2-yl]methoxy}carbonyl)phenyl 3,4,5-trihydroxybenzoate
Other name (2)：
  • β-D-Glucopyranose pentakis[3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoate]
  • 1-O,2-O,3-O,4-O,6-O-Pentakis[5-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydroxybenzoyl]-β-D-glucopyranose
CAS registry number： 5424-20-4
Regulation number (1)：
  • EINECS2265629
KEGG COMPOUND： C17409
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