Chem
J-GLOBAL ID：201607010811463737
Nikkaji number：J3.470.171G
2-(3,4-Dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-8-[1-[2-(4-hydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]ethyl]-3,4-dihydro-2H-1-benzopyran-5,7-diol
2-(3,4-ジヒドロキシフェニル)-3-(β-D-グルコピラノシルオキシ)-8-[1-[2-(4-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-8-イル]エチル]-3,4-ジヒドロ-2H-1-ベンゾピラン-5,7-ジオール
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
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
Molecular formula： C38H40O16
Molecular formula furigana： C38-H40-O16
Molecular weight： 752.722
InChI：
InChI=1S/C38H40O16/c1-14(29-24(45)11-21(42)18-9-26(47)34(53-36(18)29)15-2-5-17(40)6-3-15)30-25(46)12-22(43)19-10-27(51-38-33(50)32(49)31(48)28(13-39)52-38)35(54-37(19)30)16-4-7-20(41)23(44)8-16/h2-8,11-12,14,26-28,31-35,38-50H,9-10,13H2,1H3/t14?,26?,27?,28-,31-,32+,33-,34?,35?,38-/m1/s1
InChI key：
RDUAKBCMDVBPCN-XDTYZGJTSA-N
SMILES：
CC(c1c(O)cc(O)c2CC(O)C(Oc12)c1ccc(O)cc1)c1c(O)cc(O)c2CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(Oc12)c1ccc(O)c(O)c1
Systematic name (3)：
- 2-(3,4-ジヒドロキシフェニル)-3-(β-D-グルコピラノシルオキシ)-8-[1-[2-(4-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-8-イル]エチル]-3,4-ジヒドロ-2H-1-ベンゾピラン-5,7-ジオール
- 8-{1-[2-(3,4-ジヒドロキシフェニル)-5,7-ジヒドロキシ-3-{[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-3,4-ジヒドロ-2H-1-ベンゾピラン-8-イル]エチル}-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-3,5,7-トリオール
- 8-{1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-8-yl]ethyl}-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
- 2-(3,4-Dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-8-[1-[2-(4-hydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]ethyl]-3,4-dihydro-2H-1-benzopyran-5,7-diol
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