Chem
J-GLOBAL ID：200907023305835943   Nikkaji number：J39.403C

Kadsurenone

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： C21H24O5
Molecular formula furigana： C21-H24-O5
Molecular weight： 356.418
InChI： InChI=1S/C21H24O5/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/h6,8-13,20H,1,7H2,2-5H3/t13-,20+,21+/m1/s1
InChI key： VDYACOATPFOZIO-UBWHGVKJSA-N
SMILES： COc1ccc(cc1OC)[C@H]1OC2=CC(=O)C(=C[C@]2(OC)[C@@H]1C)CC=C
Systematic name  (4)：
  • (2S)-2α-(3,4-ジメトキシフェニル)-3,3a-ジヒドロ-3aα-メトキシ-3β-メチル-5-(2-プロペニル)-6(2H)-ベンゾフラノン
  • 2α-(3,4-ジメトキシフェニル)-3β-メチル-3aα-メトキシ-5-アリル-2,3,3a,6-テトラヒドロベンゾフラン-6-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-(プロパ-2-エン-1-イル)-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-(prop-2-en-1-yl)-2,3,3a,6-tetrahydro-1-benzofuran-6-one
Other name (5)：
  • カズレノン
  • カドスレノン
  • Kadsurenone
  • (2S)-2α-(3,4-Dimethoxyphenyl)-3,3a-dihydro-3aα-methoxy-3β-methyl-5-(2-propenyl)-6(2H)-benzofuranone
  • 2α-(3,4-Dimethoxyphenyl)-3β-methyl-3aα-methoxy-5-allyl-2,3,3a,6-tetrahydrobenzofuran-6-one
CAS registry number： 95851-37-9
KEGG COMPOUND： C10638
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