Chem
J-GLOBAL ID：200907079972391625   Nikkaji number：J1.364.891C

3aβ,4,7,7aβ-Tetrahydrospiro[isobenzofuran-1(3H),1′-[4]cycloheptene]-3-one

3aβ,4,7,7aβ-テトラヒドロスピロ[イソベンゾフラン-1(3H),1′-[4]シクロヘプテン]-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： C14H18O2
Molecular formula furigana： C14-H18-O2
Molecular weight： 218.296
InChI： InChI=1S/C14H18O2/c15-13-11-7-3-4-8-12(11)14(16-13)9-5-1-2-6-10-14/h1-4,11-12H,5-10H2/t11-,12+/m1/s1
InChI key： YGSYYOQHFBLEIB-NEPJUHHUSA-N
SMILES： O=C1OC2(CCC=CCC2)[C@H]2CC=CC[C@@H]12
Systematic name  (3)：
  • 3aβ,4,7,7aβ-テトラヒドロスピロ[イソベンゾフラン-1(3H),1′-[4]シクロヘプテン]-3-オン
  • (3aR,7aS)-3a,4,7,7a-テトラヒドロ-3H-スピロ[2-ベンゾフラン-1,1'-シクロヘプタン]-4'-エン-3-オン
  • (3aR,7aS)-3a,4,7,7a-tetrahydro-3H-spiro[2-benzofuran-1,1'-cycloheptan]-4'-en-3-one
Other name (1)：
  • 3aβ,4,7,7aβ-Tetrahydrospiro[isobenzofuran-1(3H),1′-[4]cycloheptene]-3-one
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