Chem
J-GLOBAL ID：200907067321805652   Nikkaji number：J937.203B

Crescentin I

クレセンチンI
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： C9H14O4
Molecular formula furigana： C9-H14-O4
Molecular weight： 186.207
InChI： InChI=1S/C9H14O4/c1-5-4-7(11)6(2-3-10)8(5)9(12)13/h6-7,10-11H,2-4H2,1H3,(H,12,13)/t6-,7+/m0/s1
InChI key： KGKIAOCPNHYBAM-NKWVEPMBSA-N
SMILES： CC1=C([C@@H](CCO)[C@H](O)C1)C(=O)O
Systematic name  (3)：
  • (4R)-4β-ヒドロキシ-5α-(2-ヒドロキシエチル)-2-メチル-1-シクロペンテン-1-カルボン酸
  • (4R,5R)-4-ヒドロキシ-5-(2-ヒドロキシエチル)-2-メチルシクロペンタ-1-エン-1-カルボン酸
  • (4R,5R)-4-hydroxy-5-(2-hydroxyethyl)-2-methylcyclopent-1-ene-1-carboxylic acid
Other name (3)：
  • クレセンチンI
  • Crescentin I
  • (4R)-4β-Hydroxy-5α-(2-hydroxyethyl)-2-methyl-1-cyclopentene-1-carboxylic acid
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