Chem
J-GLOBAL ID：200907004913671967   Nikkaji number：J1.485.853I

5,5′-Trimethylene[3,3′-(cyclobutane-1,2-diyl)[1,1′-[3β,4β-bis(ethoxycarbonyl)cyclobutane-1α,2α-diyl]bis(2-methoxybenzene)]]

5,5′-トリメチレン[3,3′-(シクロブタン-1,2-ジイル)[1,1′-[3β,4β-ビス(エトキシカルボニル)シクロブタン-1α,2α-ジイル]ビス(2-メトキシベンゼン)]]
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： C31H36O6
Molecular formula furigana： C31-H36-O6
Molecular weight： 504.623
InChI： InChI=1S/C31H36O6/c1-5-36-30(32)26-24-22-14-16-8-7-9-17-13-21(19-11-10-18(19)20(12-16)28(22)34-3)29(35-4)23(15-17)25(24)27(26)31(33)37-6-2/h12-15,18-19,24-27H,5-11H2,1-4H3/t18?,19?,24-,25+,26+,27-
InChI key： KXGNYAHCJSCNGU-CIXUJLMGSA-N
SMILES： CCOC(=O)[C@H]1[C@H]([C@H]2[C@@H]1c1cc3CCCc4cc(C5CCC5c(c3)c1OC)c(OC)c2c4)C(=O)OCC
Systematic name  (3)：
  • 5,5′-トリメチレン[3,3′-(シクロブタン-1,2-ジイル)[1,1′-[3β,4β-ビス(エトキシカルボニル)シクロブタン-1α,2α-ジイル]ビス(2-メトキシベンゼン)]]
  • 5,6-ジエチル (4R,5S,6R,7S)-22,23-ジメトキシヘキサシクロ[8.8.3.13,17.18,12.04,7.013,16]トリコサ-1(18),2,8,10,12(23),17(22)-ヘキサエン-5,6-ジカルボキシラート
  • 5,6-diethyl (4R,5S,6R,7S)-22,23-dimethoxyhexacyclo[8.8.3.13,17.18,12.04,7.013,16]tricosa-1(18),2,8,10,12(23),17(22)-hexaene-5,6-dicarboxylate
Other name (1)：
  • 5,5′-Trimethylene[3,3′-(cyclobutane-1,2-diyl)[1,1′-[3β,4β-bis(ethoxycarbonyl)cyclobutane-1α,2α-diyl]bis(2-methoxybenzene)]]
Thsaurus map：
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