Chem
J-GLOBAL ID：200907008790580509   Nikkaji number：J1.512.060F

Clavularin B

クラブラリンB
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： C12H18O2
Molecular formula furigana： C12-H18-O2
Molecular weight： 194.274
InChI： InChI=1S/C12H18O2/c1-9-5-3-4-6-12(14)11(9)8-7-10(2)13/h4,6,9,11H,3,5,7-8H2,1-2H3/t9-,11+/m1/s1
InChI key： PGQIQXCQGGDEBH-KOLCDFICSA-N
SMILES： C[C@@H]1CCC=CC(=O)[C@H]1CCC(=O)C
Systematic name  (3)：
  • (6R)-6β-メチル-7α-(3-オキソブチル)-2-シクロヘプテン-1-オン
  • (6R,7S)-6-メチル-7-(3-オキソブチル)シクロヘプタ-2-エン-1-オン
  • (6R,7S)-6-methyl-7-(3-oxobutyl)cyclohept-2-en-1-one
Other name (3)：
  • (6R)-6β-Methyl-7α-(3-oxobutyl)-2-cycloheptene-1-one
  • クラブラリンB
  • Clavularin B
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