Chem
J-GLOBAL ID:200907024712315101   Nikkaji number:J936.515J

(1R,5R)-1-Allyl-3,5-dimethoxy-4β-hydroxy-6α-(1,3-benzodioxol-5-yl)-7β-methylbicyclo[3.2.1]oct-2-en-8-one

(1R,5R)-1-アリル-3,5-ジメトキシ-4β-ヒドロキシ-6α-(1,3-ベンゾジオキソール-5-イル)-7β-メチルビシクロ[3.2.1]オクタ-2-エン-8-オン
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: C21H24O6
Molecular formula furigana: C21-H24-O6
Molecular weight: 372.417
InChI: InChI=1S/C21H24O6/c1-5-8-20-10-16(24-3)18(22)21(25-4,19(20)23)17(12(20)2)13-6-7-14-15(9-13)27-11-26-14/h5-7,9-10,12,17-18,22H,1,8,11H2,2-4H3/t12-,17+,18-,20+,21-/m1/s1
InChI key: VMLKPGBVBAIQOW-LOPMHCFQSA-N
SMILES: COC1=C[C@@]2(CC=C)[C@H](C)[C@@H](c3ccc4OCOc4c3)[C@@](OC)([C@@H]1O)C2=O
Systematic name  (3):
  • (1R,5R)-1-アリル-3,5-ジメトキシ-4β-ヒドロキシ-6α-(1,3-ベンゾジオキソール-5-イル)-7β-メチルビシクロ[3.2.1]オクタ-2-エン-8-オン
  • (1R,4R,5R,6S,7R)-6-(2H-1,3-ベンゾジオキソール-5-イル)-4-ヒドロキシ-3,5-ジメトキシ-7-メチル-1-(プロパ-2-エン-1-イル)ビシクロ[3.2.1]オクタ-2-エン-8-オン
  • (1R,4R,5R,6S,7R)-6-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-3,5-dimethoxy-7-methyl-1-(prop-2-en-1-yl)bicyclo[3.2.1]oct-2-en-8-one
Other name (1):
  • (1R,5R)-1-Allyl-3,5-dimethoxy-4β-hydroxy-6α-(1,3-benzodioxol-5-yl)-7β-methylbicyclo[3.2.1]oct-2-en-8-one
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