Chem
J-GLOBAL ID：201007033831434097   Nikkaji number：J2.783.342J

Auraviketone

アウラビケトン
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： C21H16O8
Molecular formula furigana： C21-H16-O8
Molecular weight： 396.351
InChI： InChI=1S/C21H16O8/c1-21(28)7-12(23)14-9(16(21)20(27)29-2)6-10-15(19(14)26)18(25)13-8(17(10)24)4-3-5-11(13)22/h3-6,16,22,26,28H,7H2,1-2H3/t16?,21-/m1/s1
InChI key： NIJCZTKHKOATFT-CAWMZFRYSA-N
SMILES： COC(=O)C1c2cc3C(=O)c4cccc(O)c4C(=O)c3c(O)c2C(=O)C[C@@]1(C)O
Systematic name  (3)：
  • (2R)-2α,5,7-トリヒドロキシ-2-メチル-1,2,3,4,6,11-ヘキサヒドロ-4,6,11-トリオキソナフタセン-1-カルボン酸メチル
  • メチル (2R)-2,5,7-トリヒドロキシ-2-メチル-4,6,11-トリオキソ-1,2,3,4,6,11-ヘキサヒドロテトラセン-1-カルボキシラート
  • methyl (2R)-2,5,7-trihydroxy-2-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
Other name (3)：
  • (2R)-2α,5,7-Trihydroxy-2-methyl-1,2,3,4,6,11-hexahydro-4,6,11-trioxonaphthacene-1-carboxylic acid methyl ester
  • Auraviketone
  • アウラビケトン
KEGG COMPOUND： C12417
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