Chem
J-GLOBAL ID：200907079853110340   Nikkaji number：J358.055E

Atpenin A4

アトペニンA4
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： C15H22ClNO5
Molecular formula furigana： C15-H22-CL-N-O5
Molecular weight： 331.790
InChI： InChI=1S/C15H22ClNO5/c1-7(9(3)16)6-8(2)11(18)10-12(19)13(21-4)15(22-5)17-14(10)20/h7-9H,6H2,1-5H3,(H2,17,19,20)/t7-,8-,9-/m0/s1
InChI key： LDPADGWFJFHTLH-CIUDSAMLSA-N
SMILES： COc1nc(O)c(C(=O)[C@@H](C)C[C@H](C)[C@H](C)Cl)c(O)c1OC
Systematic name  (4)：
  • (2S,4S,5S)-5-クロロ-1-(2,4-ジヒドロキシ-5,6-ジメトキシピリジン-3-イル)-2,4-ジメチル-1-ヘキサノン
  • (2S,4S,5S)-1-(2,4-ジヒドロキシ-5,6-ジメトキシ-3-ピリジニル)-2,4-ジメチル-5-クロロ-1-ヘキサノン
  • (2S,4S,5S)-5-クロロ-1-(2,4-ジヒドロキシ-5,6-ジメトキシピリジン-3-イル)-2,4-ジメチルヘキサン-1-オン
  • (2S,4S,5S)-5-chloro-1-(2,4-dihydroxy-5,6-dimethoxypyridin-3-yl)-2,4-dimethylhexan-1-one
Other name (9)：
  • アトペニンA4
  • Atpenin A4
  • (2S,4S,5S)-5-Chloro-1-(2,4-dihydroxy-5,6-dimethoxypyridin-3-yl)-2,4-dimethyl-1-hexanone
  • (2S,4S,5S)-1-(2,4-Dihydroxy-5,6-dimethoxy-3-pyridinyl)-2,4-dimethyl-5-chloro-1-hexanone
  • アトペニンA4
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CAS registry number： 119509-25-0
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