Chem
J-GLOBAL ID:200907050779933382   Nikkaji number:J697.115F

Robinetinidol-(4α-8)-catechin

ロビネチニドール-(4α-8)-カテキン
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: C30H26O12
Molecular formula furigana: C30-H26-O12
Molecular weight: 578.526
InChI: InChI=1S/C30H26O12/c31-13-2-3-14-23(8-13)41-29(12-6-20(36)26(39)21(37)7-12)27(40)24(14)25-19(35)10-17(33)15-9-22(38)28(42-30(15)25)11-1-4-16(32)18(34)5-11/h1-8,10,22,24,27-29,31-40H,9H2/t22-,24-,27-,28+,29+/m0/s1
InChI key: XTVOPCAOTUZWHN-NQCZLCCKSA-N
SMILES: O[C@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)ccc34)c3cc(O)c(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1
Systematic name  (4):
  • (4α)-2α-(3,4,5-トリヒドロキシフェニル)-2′α-(3,4-ジヒドロキシフェニル)-3,3′,4,4′-テトラヒドロ-4,8′-ビ[2H-1-ベンゾピラン]-3β,3′β,5′,7,7′-ペンタオール
  • (2R)-2α-(3,4,5-トリヒドロキシフェニル)-4α-[(2R)-2α-(3,4-ジヒドロキシフェニル)-3β,5,7-トリヒドロキシ-3,4-ジヒドロ-2H-1-ベンゾピラン-8-イル]-3,4-ジヒドロ-2H-1-ベンゾピラン-3β,7-ジオール
  • (2R,3S)-8-[(2R,3S,4S)-3,7-ジヒドロキシ-2-(3,4,5-トリヒドロキシフェニル)-3,4-ジヒドロ-2H-1-ベンゾピラン-4-イル]-2-(3,4-ジヒドロキシフェニル)-3,4-ジヒドロ-2H-1-ベンゾピラン-3,5,7-トリオール
  • (2R,3S)-8-[(2R,3S,4S)-3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Other name (4):
  • (4α)-2α-(3,4,5-Trihydroxyphenyl)-2′α-(3,4-dihydroxyphenyl)-3,3′,4,4′-tetrahydro-4,8′-bi[2H-1-benzopyran]-3β,3′β,5′,7,7′-pentol
  • (2R)-2α-(3,4,5-Trihydroxyphenyl)-4α-[(2R)-2α-(3,4-dihydroxyphenyl)-3β,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-3β,7-diol
  • Robinetinidol-(4α-8)-catechin
  • ロビネチニドール-(4α-8)-カテキン
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