Chem
J-GLOBAL ID：201307067309505581   Nikkaji number：J3.131.683I

NBR-123477B

(2S,4S)-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-5-ヘキセン-1-オン
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： C15H21NO5
Molecular formula furigana： C15-H21-N-O5
Molecular weight： 295.335
InChI： InChI=1S/C15H21NO5/c1-6-8(2)7-9(3)11(17)10-12(18)13(20-4)15(21-5)16-14(10)19/h6,8-9H,1,7H2,2-5H3,(H2,16,18,19)/t8-,9+/m1/s1
InChI key： IKKLAGFAACTQOB-BDAKNGLRSA-N
SMILES： COc1nc(O)c(C(=O)[C@@H](C)C[C@H](C)C=C)c(O)c1OC
Systematic name  (3)：
  • (2S,4S)-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-5-ヘキセン-1-オン
  • (2S,4S)-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-5-エン-1-オン
  • (2S,4S)-1-(2,4-dihydroxy-5,6-dimethoxypyridin-3-yl)-2,4-dimethylhex-5-en-1-one
Other name (2)：
  • (2S,4S)-1-(2,4-Dihydroxy-5,6-dimethoxypyridine-3-yl)-2,4-dimethyl-5-hexene-1-one
  • NBR-123477B
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