Chem
J-GLOBAL ID:200907078782540040
Nikkaji number:J295.224F
(2S)-2α-(3,4-Dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-3β-[[(2R)-3,4-dihydro-2α-(3,4-dihydroxyphenyl)-4-oxo-3β,5,7-trihydroxy-2H-1-benzopyran]-8-yl]-4H-1-benzopyran-4-one
(2R,3R)-2-(3,4-ジヒドロキシフェニル)-8-[(2S,3R)-2-(3,4-ジヒドロキシフェニル)-5,7-ジヒドロキシ-4-オキソ-3,4-ジヒドロ-2H-1-ベンゾピラン-3-イル]-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-オン
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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:
C30 H22 O13
Molecular formula furigana:
C30-H22-O13
Molecular weight:
590.493
InChI:
InChI=1S/C30H22O13/c31-12-7-17(36)21-20(8-12)42-28(10-1-3-13(32)15(34)5-10)24(25(21)39)22-18(37)9-19(38)23-26(40)27(41)29(43-30(22)23)11-2-4-14(33)16(35)6-11/h1-9,24,27-29,31-38,41H/t24-,27-,28+,29+/m0/s1
InChI key:
UKRJEVDCOVVSAB-BENTYHEHSA-N
SMILES:
O[C@@H]1[C@H](Oc2c([C@@H]3[C@H](Oc4cc(O)cc(O)c4C3=O)c3ccc(O)c(O)c3)c(O)cc(O)c2C1=O)c1ccc(O)c(O)c1
Systematic name (3):
(2S)-2α-(3,4-ジヒドロキシフェニル)-2,3-ジヒドロ-5,7-ジヒドロキシ-3β-[[(2R)-3,4-ジヒドロ-2α-(3,4-ジヒドロキシフェニル)-4-オキソ-3β,5,7-トリヒドロキシ-2H-1-ベンゾピラン]-8-イル]-4H-1-ベンゾピラン-4-オン
(2R,3R)-2-(3,4-ジヒドロキシフェニル)-8-[(2S,3R)-2-(3,4-ジヒドロキシフェニル)-5,7-ジヒドロキシ-4-オキソ-3,4-ジヒドロ-2H-1-ベンゾピラン-3-イル]-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-オン
(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one
Other name (1):
(2S)-2α-(3,4-Dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-3β-[[(2R)-3,4-dihydro-2α-(3,4-dihydroxyphenyl)-4-oxo-3β,5,7-trihydroxy-2H-1-benzopyran]-8-yl]-4H-1-benzopyran-4-one
CAS registry number:
73428-17-8
Regulation number (1):
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