Chem
J-GLOBAL ID：201307065131393358   Nikkaji number：J3.152.461J

3′α-(3-Hydroxy-4,5-dimethoxybenzoyloxy)-2,2′,3,3′-tetrahydro-2α-(4-hydroxyphenyl)-2′α-(3,4-dihydroxyphenyl)-3α,5,5′,7,7′-pentahydroxy-4,8′α-bi[4H-1-benzopyran]

3′α-(3-ヒドロキシ-4,5-ジメトキシベンゾイルオキシ)-2,2′,3,3′-テトラヒドロ-2α-(4-ヒドロキシフェニル)-2′α-(3,4-ジヒドロキシフェニル)-3α,5,5′,7,7′-ペンタヒドロキシ-4,8′α-ビ[4H-1-ベンゾピラン]
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： C39H34O15
Molecular formula furigana： C39-H34-O15
Molecular weight： 742.686
InChI： InChI=1S/C39H34O15/c1-50-29-11-18(10-27(47)38(29)51-2)39(49)53-30-14-21-23(43)15-26(46)32(37(21)54-35(30)17-5-8-22(42)24(44)9-17)33-31-25(45)12-20(41)13-28(31)52-36(34(33)48)16-3-6-19(40)7-4-16/h3-13,15,30,33-36,40-48H,14H2,1-2H3/t30-,33?,34-,35-,36-/m1/s1
InChI key： HXNFAEHQTOVPJI-HEOYKFHQSA-N
SMILES： COc1cc(cc(O)c1OC)C(=O)O[C@@H]1Cc2c(O)cc(O)c(C3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)cc3)c2O[C@@H]1c1ccc(O)c(O)c1
Systematic name  (3)：
  • 3′α-(3-ヒドロキシ-4,5-ジメトキシベンゾイルオキシ)-2,2′,3,3′-テトラヒドロ-2α-(4-ヒドロキシフェニル)-2′α-(3,4-ジヒドロキシフェニル)-3α,5,5′,7,7′-ペンタヒドロキシ-4,8′α-ビ[4H-1-ベンゾピラン]
  • (2R,3R)-2-(3,4-ジヒドロキシフェニル)-5,7-ジヒドロキシ-8-[(2R,3R)-3,5,7-トリヒドロキシ-2-(4-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]-3,4-ジヒドロ-2H-1-ベンゾピラン-3-イル 3-ヒドロキシ-4,5-ジメトキシベンゾアート
  • (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3-yl 3-hydroxy-4,5-dimethoxybenzoate
Other name (1)：
  • 3′α-(3-Hydroxy-4,5-dimethoxybenzoyloxy)-2,2′,3,3′-tetrahydro-2α-(4-hydroxyphenyl)-2′α-(3,4-dihydroxyphenyl)-3α,5,5′,7,7′-pentahydroxy-4,8′α-bi[4H-1-benzopyran]
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