Chem
J-GLOBAL ID：200907011813452288   Nikkaji number：J2.306.520G

Kankanol

カンカノール
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： C9H13ClO4
Molecular formula furigana： C9-H13-CL-O4
Molecular weight： 220.650
InChI： InChI=1S/C9H13ClO4/c10-6-2-4-1-5(11)9(12)3-13-8(14-6)7(4)9/h4-8,11-12H,1-3H2/t4-,5-,6+,7-,8+,9+/m1/s1
InChI key： XNCBYWDPTVQQQZ-ZLSXHNQQSA-N
SMILES： O[C@@H]1C[C@@H]2C[C@@H](Cl)O[C@@H]3OC[C@@]1(O)[C@H]23
Systematic name  (3)：
  • (1S,4aα,7aα)-1β,7β-(エポキシメタノ)-3α-クロロオクタヒドロシクロペンタ[c]ピラン-6β,7-ジオール
  • (1S,4S,5R,7R,9R,11S)-9-クロロ-2,10-ジオキサトリシクロ[5.3.1.04,11]ウンデカン-4,5-ジオール
  • (1S,4S,5R,7R,9R,11S)-9-chloro-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5-diol
Other name (3)：
  • (1S,4aα,7aα)-1β,7β-(Epoxymethano)-3α-chlorooctahydrocyclopenta[c]pyran-6β,7-diol
  • カンカノール
  • Kankanol
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