Chem
J-GLOBAL ID：200907037459228838   Nikkaji number：J1.364.882D

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

3aβ,4,7,7aβ-テトラヒドロ-4β,7β-メタノスピロ[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： C15H18O2
Molecular formula furigana： C15-H18-O2
Molecular weight： 230.307
InChI： InChI=1S/C15H18O2/c16-14-12-10-5-6-11(9-10)13(12)15(17-14)7-3-1-2-4-8-15/h1-2,5-6,10-13H,3-4,7-9H2/t10-,11+,12-,13+/m1/s1
InChI key： SHFLOYDSHQGLSA-XQHKEYJVSA-N
SMILES： O=C1OC2(CCC=CCC2)[C@H]2[C@@H]3C[C@@H](C=C3)[C@@H]12
Systematic name  (3)：
  • 3aβ,4,7,7aβ-テトラヒドロ-4β,7β-メタノスピロ[イソベンゾフラン-1(3H),1′-[4]シクロヘプテン]-3-オン
  • (1'R,2'S,6'R,7'S)-4'-オキサスピロ[シクロヘプタン-1,3'-トリシクロ[5.2.1.02,6]デカン]-4,8'-ジエン-5'-オン
  • (1'R,2'S,6'R,7'S)-4'-oxaspiro[cycloheptane-1,3'-tricyclo[5.2.1.02,6]decane]-4,8'-dien-5'-one
Other name (1)：
  • 3aβ,4,7,7aβ-Tetrahydro-4β,7β-methanospiro[isobenzofuran-1(3H),1′-[4]cycloheptene]-3-one
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