Chem
J-GLOBAL ID：200907095819636436   Nikkaji number：J1.918.286J

Diacetic acid (1S,4R,7R,8S)-7,8-[(o-phenylene)biscarbonyl]bicyclo[2.2.2]octa-5-ene-2β,3α-diyl ester

二酢酸(1S,4R,7R,8S)-7,8-[(o-フェニレン)ビスカルボニル]ビシクロ[2.2.2]オクタ-5-エン-2β,3α-ジイル
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： C20H18O6
Molecular formula furigana： C20-H18-O6
Molecular weight： 354.358
InChI： InChI=1S/C20H18O6/c1-9(21)25-19-13-7-8-14(20(19)26-10(2)22)16-15(13)17(23)11-5-3-4-6-12(11)18(16)24/h3-8,13-16,19-20H,1-2H3/t13-,14+,15+,16-,19-,20-/m1/s1
InChI key： TYQCCLBGPCLIHG-HMOFWBTOSA-N
SMILES： CC(=O)O[C@H]1[C@H](OC(=O)C)[C@H]2C=C[C@@H]1[C@H]1[C@@H]2C(=O)c2ccccc2C1=O
Systematic name  (3)：
  • 二酢酸(1S,4R,7R,8S)-7,8-[(o-フェニレン)ビスカルボニル]ビシクロ[2.2.2]オクタ-5-エン-2β,3α-ジイル
  • (1R,2S,11R,12S,13R,14R)-14-(アセチルオキシ)-3,10-ジオキソテトラシクロ[10.2.2.02,11.04,9]ヘキサデカ-4,6,8,15-テトラエン-13-イル アセタート
  • (1R,2S,11R,12S,13R,14R)-14-(acetyloxy)-3,10-dioxotetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,15-tetraen-13-yl acetate
Other name (1)：
  • Diacetic acid (1S,4R,7R,8S)-7,8-[(o-phenylene)biscarbonyl]bicyclo[2.2.2]octa-5-ene-2β,3α-diyl ester
Thsaurus map：
Thesaurus Map

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