Chem
J-GLOBAL ID:200907078418598971   Nikkaji number:J815.540B

(5S,7aR)-5-Hydroxy-4,7a-dimethyl-3-methylene-5,6,7,7a-tetrahydroisobenzofuran-1(3H)-one

(5S,7aR)-5-ヒドロキシ-4,7a-ジメチル-3-メチレン-5,6,7,7a-テトラヒドロイソベンゾフラン-1(3H)-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: C11H14O3
Molecular formula furigana: C11-H14-O3
Molecular weight: 194.230
InChI: InChI=1S/C11H14O3/c1-6-8(12)4-5-11(3)9(6)7(2)14-10(11)13/h8,12H,2,4-5H2,1,3H3/t8-,11+/m0/s1
InChI key: PNSRNBQHJHQDCO-GZMMTYOYSA-N
SMILES: CC1=C2C(=C)OC(=O)[C@]2(C)CC[C@@H]1O
Systematic name  (3):
  • (5S,7aR)-5-ヒドロキシ-4,7a-ジメチル-3-メチレン-5,6,7,7a-テトラヒドロイソベンゾフラン-1(3H)-オン
  • (5S,7aR)-5-ヒドロキシ-4,7a-ジメチル-3-メチリデン-1,3,5,6,7,7a-ヘキサヒドロ-2-ベンゾフラン-1-オン
  • (5S,7aR)-5-hydroxy-4,7a-dimethyl-3-methylidene-1,3,5,6,7,7a-hexahydro-2-benzofuran-1-one
Other name (1):
  • (5S,7aR)-5-Hydroxy-4,7a-dimethyl-3-methylene-5,6,7,7a-tetrahydroisobenzofuran-1(3H)-one
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