Chem
J-GLOBAL ID:200907068992039560
Nikkaji number:J579.453F
(1α,4α)-2-(p-Tolylsulfinyl)bicyclo[2.2.1]hepta-5-ene-2β,3β-dicarboxylic acid 2-benzyl 3-methyl ester
(1α,4α)-2-(p-トリルスルフィニル)ビシクロ[2.2.1]ヘプタ-5-エン-2β,3β-ジカルボン酸2-ベンジル3-メチル
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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:
C24 H24 O5 S
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-MZLGMUHMSA-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):
(1S,4R)-2α-[(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-2,3β-ジカルボン酸2-ベンジル3-メチル
(1α,4α)-2-(p-トリルスルフィニル)ビシクロ[2.2.1]ヘプタ-5-エン-2β,3β-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,2S,3R,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,2S,3R,4R)-2-(4-methylbenzenesulfinyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
Other name (2):
(1S,4R)-2α-[(4-Methylphenyl)sulfinyl]bicyclo[2.2.1]hept-5-ene-2,3β-dicarboxylic acid 2-benzyl 3-methyl ester
(1α,4α)-2-(p-Tolylsulfinyl)bicyclo[2.2.1]hepta-5-ene-2β,3β-dicarboxylic acid 2-benzyl 3-methyl ester
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