Chem
J-GLOBAL ID：200907042965180197   Nikkaji number：J937.205I

Crescentin IV

クレセンチンIV
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： C9H18O4
Molecular formula furigana： C9-H18-O4
Molecular weight： 190.239
InChI： InChI=1S/C9H18O4/c1-9(13)4-8(12)6(2-3-10)7(9)5-11/h6-8,10-13H,2-5H2,1H3/t6-,7+,8-,9+/m1/s1
InChI key： WNPIRCJYDBADBI-XAVMHZPKSA-N
SMILES： C[C@]1(O)C[C@@H](O)[C@H](CCO)[C@@H]1CO
Systematic name  (3)：
  • (1S)-4α-(2-ヒドロキシエチル)-5α-(ヒドロキシメチル)-1-メチルシクロペンタン-1β,3β-ジオール
  • (1S,3R,4R,5R)-4-(2-ヒドロキシエチル)-5-(ヒドロキシメチル)-1-メチルシクロペンタン-1,3-ジオール
  • (1S,3R,4R,5R)-4-(2-hydroxyethyl)-5-(hydroxymethyl)-1-methylcyclopentane-1,3-diol
Other name (3)：
  • クレセンチンIV
  • Crescentin IV
  • (1S)-4α-(2-Hydroxyethyl)-5α-(hydroxymethyl)-1-methylcyclopentane-1β,3β-diol
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