Chem
J-GLOBAL ID：200907083917248063   Nikkaji number：J673.815J

Koninginin E

コニンギニンE
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： C16H26O4
Molecular formula furigana： C16-H26-O4
Molecular weight： 282.380
InChI： InChI=1S/C16H26O4/c1-2-3-4-5-6-13(18)15-10-7-11-12(17)8-9-14(19)16(11)20-15/h13-15,18-19H,2-10H2,1H3/t13-,14+,15-/m0/s1
InChI key： INHVGPIPHZJQOP-ZNMIVQPWSA-N
SMILES： CCCCCC[C@H](O)[C@@H]1CCC2=C(O1)[C@H](O)CCC2=O
Systematic name  (3)：
  • 2,3,4,6,7,8-ヘキサヒドロ-8β-ヒドロキシ-2α-[(S)-1-ヒドロキシヘプチル]-5H-1-ベンゾピラン-5-オン
  • (2S,8R)-8-ヒドロキシ-2-[(1S)-1-ヒドロキシヘプチル]-3,4,5,6,7,8-ヘキサヒドロ-2H-1-ベンゾピラン-5-オン
  • (2S,8R)-8-hydroxy-2-[(1S)-1-hydroxyheptyl]-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-5-one
Other name (3)：
  • コニンギニンE
  • Koninginin E
  • 2,3,4,6,7,8-Hexahydro-8β-hydroxy-2α-[(S)-1-hydroxyheptyl]-5H-1-benzopyran-5-one
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