Chem
J-GLOBAL ID：200907094595255567   Nikkaji number：J1.950.484K

8-Hydroxy-9-chloro-8,9-dideoxyaspyrone

8-ヒドロキシ-9-クロロ-8,9-ジデオキシアスピロン
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/c1-4(10)8(12)6-3-7(11)5(2)14-9(6)13/h3-5,7-8,11-12H,1-2H3/t4?,5-,7+,8?/m1/s1
InChI key： RFRJSDLXLVSACH-WLLSWGEYSA-N
SMILES： CC(Cl)C(O)C1=C[C@H](O)[C@@H](C)OC1=O
Systematic name  (3)：
  • (5S)-3-(1-ヒドロキシ-2-クロロプロピル)-5α-ヒドロキシ-6β-メチル-5,6-ジヒドロ-2H-ピラン-2-オン
  • (5S,6R)-3-(2-クロロ-1-ヒドロキシプロピル)-5-ヒドロキシ-6-メチル-5,6-ジヒドロ-2H-ピラン-2-オン
  • (5S,6R)-3-(2-chloro-1-hydroxypropyl)-5-hydroxy-6-methyl-5,6-dihydro-2H-pyran-2-one
Other name (3)：
  • (5S)-3-(1-Hydroxy-2-chloropropyl)-5α-hydroxy-6β-methyl-5,6-dihydro-2H-pyran-2-one
  • 8-ヒドロキシ-9-クロロ-8,9-ジデオキシアスピロン
  • 8-Hydroxy-9-chloro-8,9-dideoxyaspyrone
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