Chem
J-GLOBAL ID：200907027073143700
Nikkaji number：J239.388C
(3S)-5,5′,7-Trihydroxy-2′,2′-dimethyl-3,6′-bi[2H-1-benzopyran]-4(3H)-one
(3S)-5,5′,7-トリヒドロキシ-2′,2′-ジメチル-3,6′-ビ[2H-1-ベンゾピラン]-4(3H)-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： C20H18O6
Molecular formula furigana： C20-H18-O6
Molecular weight： 354.358
InChI：
InChI=1S/C20H18O6/c1-20(2)6-5-12-15(26-20)4-3-11(18(12)23)13-9-25-16-8-10(21)7-14(22)17(16)19(13)24/h3-8,13,21-23H,9H2,1-2H3/t13-/m1/s1
InChI key：
JNDPLDZUOFZXIG-CYBMUJFWSA-N
SMILES：
CC1(C)Oc2ccc([C@H]3COc4cc(O)cc(O)c4C3=O)c(O)c2C=C1
Systematic name (3)：
- (3S)-5,5′,7-トリヒドロキシ-2′,2′-ジメチル-3,6′-ビ[2H-1-ベンゾピラン]-4(3H)-オン
- (3S)-5,7-ジヒドロキシ-3-(5-ヒドロキシ-2,2-ジメチル-2H-クロメン-6-イル)-3,4-ジヒドロ-2H-1-ベンゾピラン-4-オン
- (3S)-5,7-dihydroxy-3-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)-3,4-dihydro-2H-1-benzopyran-4-one
- (3S)-5,5′,7-Trihydroxy-2′,2′-dimethyl-3,6′-bi[2H-1-benzopyran]-4(3H)-one
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