Chem
J-GLOBAL ID:200907011384603752
Nikkaji number:J1.364.881F
3aβ,4,7,7aβ-Tetrahydro-4β,7β-methanospiro[isobenzofuran-1(3H),1′-[3]cyclopentene]-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′-[3]シクロペンテン]-3-オン
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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:
C13 H14 O2
Molecular formula furigana:
C13-H14-O2
Molecular weight:
202.253
InChI:
InChI=1S/C13H14O2/c14-12-10-8-3-4-9(7-8)11(10)13(15-12)5-1-2-6-13/h1-4,8-11H,5-7H2/t8-,9+,10-,11+/m1/s1
InChI key:
OTIUDSRWEUITQQ-YTWAJWBKSA-N
SMILES:
O=C1OC2(CC=CC2)[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′-[3]シクロペンテン]-3-オン
(1'R,2'S,6'R,7'S)-4'-オキサスピロ[シクロペンタン-1,3'-トリシクロ[5.2.1.02,6 ]デカン]-3,8'-ジエン-5'-オン
(1'R,2'S,6'R,7'S)-4'-oxaspiro[cyclopentane-1,3'-tricyclo[5.2.1.02,6 ]decane]-3,8'-dien-5'-one
Other name (1):
3aβ,4,7,7aβ-Tetrahydro-4β,7β-methanospiro[isobenzofuran-1(3H),1′-[3]cyclopentene]-3-one
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