Chem
J-GLOBAL ID：200907024840168936   Nikkaji number：J33.916D

Auramycinone

アウラマイシノン
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： C21H18O8
Molecular formula furigana： C21-H18-O8
Molecular weight： 398.367
InChI： InChI=1S/C21H18O8/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/h3-6,12,16,22-23,26,28H,7H2,1-2H3/t12-,16-,21+/m0/s1
InChI key： WCKNDRCJQZCZLO-LBJGKRIESA-N
SMILES： COC(=O)[C@@H]1c2cc3C(=O)c4cccc(O)c4C(=O)c3c(O)c2[C@@H](O)C[C@@]1(C)O
Systematic name  (4)：
  • (1R)-1,2,3,4,6,11-ヘキサヒドロ-2α,4α,5,7-テトラヒドロキシ-2-メチル-6,11-ジオキソ-1-ナフタセンカルボン酸メチル
  • (1R,2R,4S)-2-メチル-1,2,3,4,6,11-ヘキサヒドロ-2,4,5,7-テトラヒドロキシ-6,11-ジオキソ-1-ナフタセンカルボン酸メチル
  • メチル (1R,2R,4S)-2,4,5,7-テトラヒドロキシ-2-メチル-6,11-ジオキソ-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 (1R,2R,4S)-2,4,5,7-tetrahydroxy-2-methyl-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
Other name (5)：
  • オーラマイシノン
  • Auramycinone
  • (1R)-1,2,3,4,6,11-Hexahydro-2α,4α,5,7-tetrahydroxy-2-methyl-6,11-dioxo-1-naphthacenecarboxylic acid methyl ester
  • アウラマイシノン
  • (1R,2R,4S)-2-Methyl-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-6,11-dioxo-1-naphthacenecarboxylic acid methyl ester
CAS registry number： 78173-89-4
KEGG COMPOUND： C12419
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