Chem
J-GLOBAL ID:200907092147394316   Nikkaji number:J2.117.304E

(3aS)-7aα-Methyl-4α,7α-methano-1,3,3aα,4,7,7a-hexahydroisobenzofuran-1-one

(1S,2R,6S,7R)-2-メチル-4-オキサトリシクロ[5.2.1.02,6]デカ-8-エン-3-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: C10H12O2
Molecular formula furigana: C10-H12-O2
Molecular weight: 164.204
InChI: InChI=1S/C10H12O2/c1-10-7-3-2-6(4-7)8(10)5-12-9(10)11/h2-3,6-8H,4-5H2,1H3/t6-,7+,8-,10+/m0/s1
InChI key: KZOIESIDADJZCX-PYHGXSLLSA-N
SMILES: C[C@@]12[C@H]3C[C@H](C=C3)[C@@H]1COC2=O
Systematic name  (3):
  • (3aS)-7aα-メチル-4α,7α-メタノ-1,3,3aα,4,7,7a-ヘキサヒドロイソベンゾフラン-1-オン
  • (1S,2R,6S,7R)-2-メチル-4-オキサトリシクロ[5.2.1.02,6]デカ-8-エン-3-オン
  • (1S,2R,6S,7R)-2-methyl-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
Other name (1):
  • (3aS)-7aα-Methyl-4α,7α-methano-1,3,3aα,4,7,7a-hexahydroisobenzofuran-1-one
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