Chem
J-GLOBAL ID：202007006866555806   Nikkaji number：J3.749.301E

(1S,7R,4S,8R)-7-(アセチルオキシ)-3-(フェニルスルファニル)-2-オキサ-5-チアビシクロ[2.2.2]オクタン-8-イルアセタート

(1S,7R,4S,8R)-7-(アセチルオキシ)-3-(フェニルスルファニル)-2-オキサ-5-チアビシクロ[2.2.2]オクタン-8-イルアセタート
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： C16H18O5S2
Molecular formula furigana： C16-H18-O5-S2
Molecular weight： 354.440
InChI： InChI=1S/C16H18O5S2/c1-9(17)19-13-12-8-22-15(14(13)20-10(2)18)16(21-12)23-11-6-4-3-5-7-11/h3-7,12-16H,8H2,1-2H3/t12-,13-,14-,15?,16?/m1/s1
InChI key： NCLSBNKYJXKZGD-AUVVZJRPSA-N
SMILES： C1(C2[C@@H]([C@@H]([C@H](O1)CS2)OC(=O)C)OC(=O)C)Sc1ccccc1
Systematic name  (2)：
  • (1S,7R,4S,8R)-7-(アセチルオキシ)-3-(フェニルスルファニル)-2-オキサ-5-チアビシクロ[2.2.2]オクタン-8-イルアセタート
  • (1S,7R,8R)-7-(acetyloxy)-3-(phenylsulfanyl)-2-oxa-5-thiabicyclo[2.2.2]octan-8-yl acetate
Thsaurus map：
Thesaurus Map

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