Chem
J-GLOBAL ID:200907013754091554   Nikkaji number:J1.945.206I

(3S)-3β,4β,5α-Trihydroxy-(2-13C)1-cyclohexene-1-carboxylic acid

(3S)-3β,4β,5α-トリヒドロキシ-(2-13C)1-シクロヘキセン-1-カルボン酸
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: C6[13C]H10O5
Molecular formula furigana: C7-H10-O5
Molecular weight: 175.144
InChI: InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1/i1+1
InChI key: JXOHGGNKMLTUBP-VOEKRMCOSA-N
SMILES: O[C@@H]1CC(=[13CH][C@@H](O)[C@H]1O)C(=O)O
Systematic name  (3):
  • (3S)-3β,4β,5α-トリヒドロキシ-(2-13C)1-シクロヘキセン-1-カルボン酸
  • (3S,4S,5R)-3,4,5-トリヒドロキシ(2-13C)シクロヘキサ-1-エン-1-カルボン酸
  • (3S,4S,5R)-3,4,5-trihydroxy(2-13C)cyclohex-1-ene-1-carboxylic acid
Other name (1):
  • (3S)-3β,4β,5α-Trihydroxy-(2-13C)1-cyclohexene-1-carboxylic acid
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