Chem
J-GLOBAL ID：200907031270740360   Nikkaji number：J825.625J

(1S,2S,3R,4β,8R)-1,8-Dimethoxy-8-(methylthiomethyl)-7-oxobicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic acid diethyl ester

(1S,2S,3R,4β,8R)-1,8-ジメトキシ-8-(メチルチオメチル)-7-オキソビシクロ[2.2.2]オクタ-5-エン-2,3-ジカルボン酸ジエチル
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： C18H26O7S
Molecular formula furigana： C18-H26-O7-S
Molecular weight： 386.460
InChI： InChI=1S/C18H26O7S/c1-6-24-14(19)12-11-8-9-17(22-3,13(12)15(20)25-7-2)16(21)18(11,23-4)10-26-5/h8-9,11-13H,6-7,10H2,1-5H3/t11-,12+,13+,17-,18+/m0/s1
InChI key： IDTYVFYTKOLGGR-TZFWXBFWSA-N
SMILES： CCOC(=O)[C@@H]1[C@@H]2C=C[C@](OC)([C@H]1C(=O)OCC)C(=O)[C@]2(CSC)OC
Systematic name  (3)：
  • (1S,2S,3R,4β,8R)-1,8-ジメトキシ-8-(メチルチオメチル)-7-オキソビシクロ[2.2.2]オクタ-5-エン-2,3-ジカルボン酸ジエチル
  • 2,3-ジエチル (1S,2S,3R,4S,8R)-1,8-ジメトキシ-8-[(メチルスルファニル)メチル]-7-オキソビシクロ[2.2.2]オクタ-5-エン-2,3-ジカルボキシラート
  • 2,3-diethyl (1S,2S,3R,4S,8R)-1,8-dimethoxy-8-[(methylsulfanyl)methyl]-7-oxobicyclo[2.2.2]oct-5-ene-2,3-dicarboxylate
Other name (1)：
  • (1S,2S,3R,4β,8R)-1,8-Dimethoxy-8-(methylthiomethyl)-7-oxobicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic acid diethyl ester
Thsaurus map：
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