Chem
J-GLOBAL ID：200907042589198195   Nikkaji number：J358.056C

Atpenin A5

アトペニンA5
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： C15H21Cl2NO5
Molecular formula furigana： C15-H21-CL2-N-O5
Molecular weight： 366.240
InChI： InChI=1S/C15H21Cl2NO5/c1-7(9(17)6-16)5-8(2)11(19)10-12(20)13(22-3)15(23-4)18-14(10)21/h7-9H,5-6H2,1-4H3,(H2,18,20,21)/t7-,8-,9-/m0/s1
InChI key： OVULNOOPECCZRG-CIUDSAMLSA-N
SMILES： COc1nc(O)c(C(=O)[C@@H](C)C[C@H](C)[C@@H](Cl)CCl)c(O)c1OC
Systematic name  (5)：
  • (2S,4S,5R)-5,6-ジクロロ-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,5R)-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-5,6-ジクロロ-1-ヘキサノン
  • 3-[(2S,4S,5R)-2,4-ジメチル-5,6-ジクロロヘキサノイル]-5,6-ジメトキシピリジン-2,4-ジオール
  • (2S,4S,5R)-5,6-ジクロロ-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,5R)-5,6-dichloro-1-(2,4-dihydroxy-5,6-dimethoxypyridin-3-yl)-2,4-dimethylhexan-1-one
Other name (10)：
  • アトペニンA5
  • Atpenin A5
  • (2S,4S,5R)-5,6-Dichloro-1-(2,4-dihydroxy-5,6-dimethoxypyridin-3-yl)-2,4-dimethyl-1-hexanone
  • (2S,4S,5R)-1-(2,4-Dihydroxy-5,6-dimethoxy-3-pyridinyl)-2,4-dimethyl-5,6-dichloro-1-hexanone
  • アトペニンA5
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CAS registry number： 119509-24-9
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