Chem
J-GLOBAL ID:200907048498892836   Nikkaji number:J2.715.372K

(3S)-3-Hydroxy-4α-(hydroxymethyl)-5β-(2-methoxyphenyl)tetrahydrothiophene-3β-carboxylic acid ethyl ester

エチル (3S,4S,5S)-3-ヒドロキシ-4-(ヒドロキシメチル)-5-(2-メトキシフェニル)チオラン-3-カルボキシラート
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: C15H20O5S
Molecular formula furigana: C15-H20-O5-S
Molecular weight: 312.380
InChI: InChI=1S/C15H20O5S/c1-3-20-14(17)15(18)9-21-13(11(15)8-16)10-6-4-5-7-12(10)19-2/h4-7,11,13,16,18H,3,8-9H2,1-2H3/t11-,13-,15+/m1/s1
InChI key: IWIHYZBNGVISCL-KYOSRNDESA-N
SMILES: CCOC(=O)[C@]1(O)CS[C@@H]([C@H]1CO)c1ccccc1OC
Systematic name  (3):
  • (3S)-3-ヒドロキシ-4α-(ヒドロキシメチル)-5β-(2-メトキシフェニル)テトラヒドロチオフェン-3β-カルボン酸エチル
  • エチル (3S,4S,5S)-3-ヒドロキシ-4-(ヒドロキシメチル)-5-(2-メトキシフェニル)チオラン-3-カルボキシラート
  • ethyl (3S,4S,5S)-3-hydroxy-4-(hydroxymethyl)-5-(2-methoxyphenyl)thiolane-3-carboxylate
Other name (1):
  • (3S)-3-Hydroxy-4α-(hydroxymethyl)-5β-(2-methoxyphenyl)tetrahydrothiophene-3β-carboxylic acid ethyl ester
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