Chem
J-GLOBAL ID：200907017049385609   Nikkaji number：J1.123.176D

(-)-3-epi-Methyl Shikimate

3-epi-シキミ酸メチル
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： C8H12O5
Molecular formula furigana： C8-H12-O5
Molecular weight： 188.179
InChI： InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3/t5-,6+,7+/m0/s1
InChI key： LSNUUAUXWJZSFD-RRKCRQDMSA-N
SMILES： COC(=O)C1=C[C@H](O)[C@@H](O)[C@H](O)C1
Systematic name  (4)：
  • (3S)-3α,4β,5α-トリヒドロキシ-1-シクロヘキセン-1-カルボン酸メチル
  • 3α,4β,5α-トリヒドロキシ-1-シクロヘキセン-1-カルボン酸メチル
  • メチル (3S,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
  • methyl (3S,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylate
Other name (6)：
  • (3S)-3α,4β,5α-Trihydroxy-1-cyclohexene-1-carboxylic acid methyl ester
  • (-)-3-epi-シキミ酸メチル
  • (-)-3-epi-Methyl Shikimate
  • 3α,4β,5α-Trihydroxy-1-cyclohexene-1-carboxylic acid methyl ester
  • 3-epi-シキミ酸メチル
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