Chem
J-GLOBAL ID:200907021085854663   Nikkaji number:J1.533.361H

Benzoic acid 3aβ,9bβ-epoxy-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-1α-yl ester

安息香酸3aβ,9bβ-エポキシ-2,3,3a,4,5,9b-ヘキサヒドロ-1H-シクロペンタ[a]ナフタレン-1α-イル
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: C20H18O3
Molecular formula furigana: C20-H18-O3
Molecular weight: 306.361
InChI: InChI=1S/C20H18O3/c21-18(15-7-2-1-3-8-15)22-17-11-13-19-12-10-14-6-4-5-9-16(14)20(17,19)23-19/h1-9,17H,10-13H2/t17-,19-,20+/m1/s1
InChI key: KQOGTJSZVVGDHA-RLLQIKCJSA-N
SMILES: O=C(O[C@@H]1CC[C@]23CCc4ccccc4[C@]12O3)c1ccccc1
Systematic name  (3):
  • 安息香酸3aβ,9bβ-エポキシ-2,3,3a,4,5,9b-ヘキサヒドロ-1H-シクロペンタ[a]ナフタレン-1α-イル
  • (1S,10R,13R)-14-オキサテトラシクロ[8.3.1.01,10.02,7]テトラデカ-2,4,6-トリエン-13-イル ベンゾアート
  • (1S,10R,13R)-14-oxatetracyclo[8.3.1.01,10.02,7]tetradeca-2,4,6-trien-13-yl benzoate
Other name (1):
  • Benzoic acid 3aβ,9bβ-epoxy-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-1α-yl ester
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