Chem
J-GLOBAL ID：200907007149743612   Nikkaji number：J579.452H

(1β,4β)-2-(p-Tolylsulfinyl)bicyclo[2.2.1]hepta-5-ene-2α,3α-dicarboxylic acid 2-benzyl 3-methyl ester

(1β,4β)-2-(p-トリルスルフィニル)ビシクロ[2.2.1]ヘプタ-5-エン-2α,3α-ジカルボン酸2-ベンジル3-メチル
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： C24H24O5S
Molecular formula furigana： C24-H24-O5-S
Molecular weight： 424.510
InChI： InChI=1S/C24H24O5S/c1-16-8-12-20(13-9-16)30(27)24(23(26)29-15-17-6-4-3-5-7-17)19-11-10-18(14-19)21(24)22(25)28-2/h3-13,18-19,21H,14-15H2,1-2H3/t18-,19+,21+,24-,30?/m1/s1
InChI key： OFILYRXWPLIAFG-WDEGNZTHSA-N
SMILES： COC(=O)[C@@H]1[C@H]2C[C@H](C=C2)[C@@]1(C(=O)OCc1ccccc1)S(=O)c1ccc(C)cc1
Systematic name  (4)：
  • (1R,4S)-2β-[(4-メチルフェニル)スルフィニル]ビシクロ[2.2.1]ヘプタ-5-エン-2,3α-ジカルボン酸2-ベンジル3-メチル
  • (1β,4β)-2-(p-トリルスルフィニル)ビシクロ[2.2.1]ヘプタ-5-エン-2α,3α-ジカルボン酸2-ベンジル3-メチル
  • 2-ベンジル 3-メチル (1R,2R,3S,4S)-2-(4-メチルベンゼンスルフィニル)ビシクロ[2.2.1]ヘプタ-5-エン-2,3-ジカルボキシラート
  • 2-benzyl 3-methyl (1R,2R,3S,4S)-2-(4-methylbenzenesulfinyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
Other name (2)：
  • (1R,4S)-2β-[(4-Methylphenyl)sulfinyl]bicyclo[2.2.1]hept-5-ene-2,3α-dicarboxylic acid 2-benzyl 3-methyl ester
  • (1β,4β)-2-(p-Tolylsulfinyl)bicyclo[2.2.1]hepta-5-ene-2α,3α-dicarboxylic acid 2-benzyl 3-methyl ester
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