Chem
J-GLOBAL ID:200907037657065413   Nikkaji number:J412.415D

(2R,2′R)-2α,2′α-Bis(3,4-dihydroxyphenyl)-4α,8′-bichroman-3β,3′α,5,5′,7,7′-hexaol 3′-(3,4,5-trihydroxybenzoate)

(2R,2′R)-2α,2′α-ビス(3,4-ジヒドロキシフェニル)-4α,8′-ビクロマン-3β,3′α,5,5′,7,7′-ヘキサオール3′-(3,4,5-トリヒドロキシベンゾアート)
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: C37H30O16
Molecular formula furigana: C37-H30-O16
Molecular weight: 730.631
InChI: InChI=1S/C37H30O16/c38-16-9-23(44)29-27(10-16)51-35(14-2-4-19(40)22(43)6-14)33(49)31(29)30-24(45)12-20(41)17-11-28(52-37(50)15-7-25(46)32(48)26(47)8-15)34(53-36(17)30)13-1-3-18(39)21(42)5-13/h1-10,12,28,31,33-35,38-49H,11H2/t28-,31+,33+,34-,35-/m1/s1
InChI key: VLFKNLZNDSEVBZ-GUFPFSRMSA-N
SMILES: O[C@@H]1[C@H](Oc2cc(O)cc(O)c2[C@H]1c1c(O)cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc12)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1
Systematic name  (4):
  • (2R,2′R,3S,3′R,4α)-3,3′,4,4′-テトラヒドロ-2,2′-ビス(3,4-ジヒドロキシフェニル)-3′-(ガロイルオキシ)-4,8′-ビ[2H-1-ベンゾピラン]-3,5,5′,7,7′-ペンタオール
  • (2R,2′R)-2α,2′α-ビス(3,4-ジヒドロキシフェニル)-4α,8′-ビクロマン-3β,3′α,5,5′,7,7′-ヘキサオール3′-(3,4,5-トリヒドロキシベンゾアート)
  • (2R,3R)-2-(3,4-ジヒドロキシフェニル)-8-[(2R,3S,4S)-2-(3,4-ジヒドロキシフェニル)-3,5,7-トリヒドロキシ-3,4-ジヒドロ-2H-1-ベンゾピラン-4-イル]-5,7-ジヒドロキシ-3,4-ジヒドロ-2H-1-ベンゾピラン-3-イル 3,4,5-トリヒドロキシベンゾアート
  • (2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
Other name (2):
  • (2R,2′R,3S,3′R,4α)-3,3′,4,4′-Tetrahydro-2,2′-bis(3,4-dihydroxyphenyl)-3′-(galloyloxy)-4,8′-bi[2H-1-benzopyran]-3,5,5′,7,7′-pentol
  • (2R,2′R)-2α,2′α-Bis(3,4-dihydroxyphenyl)-4α,8′-bichroman-3β,3′α,5,5′,7,7′-hexaol 3′-(3,4,5-trihydroxybenzoate)
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