Chem
J-GLOBAL ID：200907042653073881   Nikkaji number：J579.454D

(1S,4R)-2β-[(4-Methylphenyl)sulfinyl]bicyclo[2.2.1]hept-5-ene-2,3α-dicarboxylic acid 2-benzyl 3-methyl ester

(1S,4R)-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
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?/m0/s1
InChI key： OFILYRXWPLIAFG-ZXUSFDRDSA-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  (3)：
  • (1S,4R)-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
  • 2-ベンジル 3-メチル (1S,2R,3S,4R)-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 (1S,2R,3S,4R)-2-(4-methylbenzenesulfinyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
Other name (1)：
  • (1S,4R)-2β-[(4-Methylphenyl)sulfinyl]bicyclo[2.2.1]hept-5-ene-2,3α-dicarboxylic acid 2-benzyl 3-methyl ester
Thsaurus map：
Thesaurus Map

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