Chem
J-GLOBAL ID：201007014301213435   Nikkaji number：J2.788.446F

9,10-Dihydrokadsurenone

9,10-ジヒドロカドスレノン
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： C21H26O5
Molecular formula furigana： C21-H26-O5
Molecular weight： 358.434
InChI： InChI=1S/C21H26O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h8-13,20H,6-7H2,1-5H3/t13-,20+,21+/m1/s1
InChI key： SLMFJWTXIZCNBN-UBWHGVKJSA-N
SMILES： CCCC1=C[C@]2(OC)[C@H](C)[C@H](OC2=CC1=O)c1ccc(OC)c(OC)c1
Systematic name  (3)：
  • 3,3a-ジヒドロ-3aα-メトキシ-2α-(3,4-ジメトキシフェニル)-3β-メチル-5-プロピルベンゾフラン-6(2H)-オン
  • (2S,3R,3aS)-2-(3,4-ジメトキシフェニル)-3a-メトキシ-3-メチル-5-プロピル-2,3,3a,6-テトラヒドロ-1-ベンゾフラン-6-オン
  • (2S,3R,3aS)-2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-5-propyl-2,3,3a,6-tetrahydro-1-benzofuran-6-one
Other name (3)：
  • 3,3a-Dihydro-3aα-methoxy-2α-(3,4-dimethoxyphenyl)-3β-methyl-5-propylbenzofuran-6(2H)-one
  • 9,10-Dihydrokadsurenone
  • 9,10-ジヒドロカドスレノン
KEGG COMPOUND： C11053
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