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
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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:
C20 H18 O3
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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