Chem
J-GLOBAL ID：200907089458615005   Nikkaji number：J2.726.985K

(-)-Ethyl shikimate

シキミ酸エチル
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： C9H14O5
Molecular formula furigana： C9-H14-O5
Molecular weight： 202.206
InChI： InChI=1S/C9H14O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3,6-8,10-12H,2,4H2,1H3/t6-,7-,8-/m1/s1
InChI key： ZZJSUXLVNPETPK-BWZBUEFSSA-N
SMILES： CCOC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1
Systematic name  (4)：
  • (3R)-3β,4β,5α-トリヒドロキシ-1-シクロヘキセン-1-カルボン酸エチル
  • (3R,4S,5R)-3,4,5-トリヒドロキシシクロヘキセン-1-カルボン酸エチル
  • エチル (3R,4S,5R)-3,4,5-トリヒドロキシシクロヘキサ-1-エン-1-カルボキシラート
  • ethyl (3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylate
Other name (5)：
  • (3R)-3β,4β,5α-Trihydroxy-1-cyclohexene-1-carboxylic acid ethyl ester
  • (3R,4S,5R)-3,4,5-Trihydroxycyclohexene-1-carboxylic acid ethyl ester
  • シキミ酸エチル
  • (-)-シキミ酸エチル
  • (-)-Ethyl shikimate
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