Chem
J-GLOBAL ID：200907083387306512
Nikkaji number：J2.117.303G
(3aS)-5,6,7aα-Trimethyl-1,3,3aα,4,7,7a-hexahydroisobenzofuran-1-one
(3aS)-5,6,7aα-トリメチル-1,3,3aα,4,7,7a-ヘキサヒドロイソベンゾフラン-1-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： C11H16O2
Molecular formula furigana： C11-H16-O2
Molecular weight： 180.247
InChI：
InChI=1S/C11H16O2/c1-7-4-9-6-13-10(12)11(9,3)5-8(7)2/h9H,4-6H2,1-3H3/t9-,11-/m1/s1
InChI key：
JIZAAEGUYSWXLL-MWLCHTKSSA-N
SMILES：
CC1=C(C)C[C@]2(C)[C@@H](COC2=O)C1
Systematic name (3)：
- (3aS)-5,6,7aα-トリメチル-1,3,3aα,4,7,7a-ヘキサヒドロイソベンゾフラン-1-オン
- (3aS,7aR)-5,6,7a-トリメチル-1,3,3a,4,7,7a-ヘキサヒドロ-2-ベンゾフラン-1-オン
- (3aS,7aR)-5,6,7a-trimethyl-1,3,3a,4,7,7a-hexahydro-2-benzofuran-1-one
- (3aS)-5,6,7aα-Trimethyl-1,3,3aα,4,7,7a-hexahydroisobenzofuran-1-one
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