Chem
J-GLOBAL ID：200907041471870755   Nikkaji number：J1.697.437D

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

(3R)-3β,4β,5α-トリヒドロキシ(1-13C)-1-シクロヘキセン-1-(13C)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： C5[13C]2H10O5
Molecular formula furigana： C7-H10-O5
Molecular weight： 176.137
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/i3+1,7+1
InChI key： JXOHGGNKMLTUBP-NWRVSOQSSA-N
SMILES： O[C@@H]1C[13C](=C[C@@H](O)[C@H]1O)[13C](=O)O
Systematic name  (3)：
  • (3R)-3β,4β,5α-トリヒドロキシ(1-13C)-1-シクロヘキセン-1-(13C)カルボン酸
  • (3R,4S,5R)-3,4,5-トリヒドロキシ(1-13C)シクロヘキサ-1-エン-1-(13C)カルボン酸
  • (3R,4S,5R)-3,4,5-trihydroxy(1-13C)cyclohex-1-ene-1-(13C)carboxylic acid
Other name (1)：
  • (3R)-3β,4β,5α-Trihydroxy(1-13C)-1-cyclohexene-1-(13C)carboxylic acid
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