Chem
J-GLOBAL ID：200907051481315160
Nikkaji number：J1.057.049B
(2S)-2,2′,3,3′-Tetrahydro-5,5′,7,7′-tetrahydroxy-2,2′-bis(4-hydroxyphenyl)-3β,6′-bi(4H-1-benzopyran)-4,4′-dione
(2S)-2,2′,3,3′-テトラヒドロ-5,5′,7,7′-テトラヒドロキシ-2,2′-ビス(4-ヒドロキシフェニル)-3β,6′-ビ(4H-1-ベンゾピラン)-4,4′-ジオン
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： C30H22O10
Molecular formula furigana： C30-H22-O10
Molecular weight： 542.496
InChI：
InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)21-11-19(35)25-23(39-21)12-20(36)26(28(25)37)27-29(38)24-18(34)9-17(33)10-22(24)40-30(27)14-3-7-16(32)8-4-14/h1-10,12,21,27,30-34,36-37H,11H2/t21?,27-,30+/m0/s1
InChI key：
LSOAOYWGWWEKHK-GOOCHKDFSA-N
SMILES：
Oc1ccc(cc1)C1CC(=O)c2c(O)c([C@@H]3[C@H](Oc4cc(O)cc(O)c4C3=O)c3ccc(O)cc3)c(O)cc2O1
Systematic name (3)：
- (2S)-2,2′,3,3′-テトラヒドロ-5,5′,7,7′-テトラヒドロキシ-2,2′-ビス(4-ヒドロキシフェニル)-3β,6′-ビ(4H-1-ベンゾピラン)-4,4′-ジオン
- 6-[(2S,3R)-5,7-ジヒドロキシ-2-(4-ヒドロキシフェニル)-4-オキソ-3,4-ジヒドロ-2H-1-ベンゾピラン-3-イル]-5,7-ジヒドロキシ-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-オン
- 6-[(2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
- (2S)-2,2′,3,3′-Tetrahydro-5,5′,7,7′-tetrahydroxy-2,2′-bis(4-hydroxyphenyl)-3β,6′-bi(4H-1-benzopyran)-4,4′-dione
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