Chem
J-GLOBAL ID：200907026196006400
Nikkaji number：J711.477J
(3R,4R)-Dihydro-3-(2,6-dichloro-3,5-dimethoxy-4-hydroxybenzyl)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]furan-2(3H)-one
(3R,4R)-ジヒドロ-3-(2,6-ジクロロ-3,5-ジメトキシ-4-ヒドロキシベンジル)-4-[(6-クロロ-1,3-ベンゾジオキソール-5-イル)メチル]フラン-2(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： C21H19Cl3O7
Molecular formula furigana： C21-H19-CL3-O7
Molecular weight： 489.730
InChI：
InChI=1S/C21H19Cl3O7/c1-27-19-16(23)12(17(24)20(28-2)18(19)25)5-11-10(7-29-21(11)26)3-9-4-14-15(6-13(9)22)31-8-30-14/h4,6,10-11,25H,3,5,7-8H2,1-2H3/t10-,11+/m0/s1
InChI key：
GKJXOILNFZFORJ-WDEREUQCSA-N
SMILES：
COc1c(O)c(OC)c(Cl)c(C[C@@H]2[C@@H](Cc3cc4OCOc4cc3Cl)COC2=O)c1Cl
Systematic name (3)：
- (3R,4R)-ジヒドロ-3-(2,6-ジクロロ-3,5-ジメトキシ-4-ヒドロキシベンジル)-4-[(6-クロロ-1,3-ベンゾジオキソール-5-イル)メチル]フラン-2(3H)-オン
- (3R,4R)-4-[(6-クロロ-2H-1,3-ベンゾジオキソール-5-イル)メチル]-3-[(2,6-ジクロロ-4-ヒドロキシ-3,5-ジメトキシフェニル)メチル]オキソラン-2-オン
- (3R,4R)-4-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-3-[(2,6-dichloro-4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-2-one
- (3R,4R)-Dihydro-3-(2,6-dichloro-3,5-dimethoxy-4-hydroxybenzyl)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]furan-2(3H)-one
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