Chem
J-GLOBAL ID：200907040950102073   Nikkaji number：J1.013.526E

8-Demethyltetracenomycin C

8-デメチルテトラセノマイシンC
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： C22H18O11
Molecular formula furigana： C22-H18-O11
Molecular weight： 458.375
InChI： InChI=1S/C22H18O11/c1-7-13-8(5-10(23)14(7)20(29)33-3)4-9-15(16(13)25)19(28)21(30)12(24)6-11(32-2)18(27)22(21,31)17(9)26/h4-6,18,23,25,27,30-31H,1-3H3/t18-,21-,22-/m1/s1
InChI key： DFURSAVCHZIKSU-STZQEDGTSA-N
SMILES： COC(=O)c1c(O)cc2cc3C(=O)[C@@]4(O)[C@H](O)C(=CC(=O)[C@@]4(O)C(=O)c3c(O)c2c1C)OC
Systematic name  (3)：
  • (6aR)-6,6a,7,10,10a,11-ヘキサヒドロ-3,6aα,7α,10aα,12-ペンタヒドロキシ-8-メトキシ-1-メチル-6,10,11-トリオキソ-2-ナフタセンカルボン酸メチル
  • メチル (6aR,7S,10aR)-3,6a,7,10a,12-ペンタヒドロキシ-8-メトキシ-1-メチル-6,10,11-トリオキソ-6,6a,7,10,10a,11-ヘキサヒドロテトラセン-2-カルボキシラート
  • methyl (6aR,7S,10aR)-3,6a,7,10a,12-pentahydroxy-8-methoxy-1-methyl-6,10,11-trioxo-6,6a,7,10,10a,11-hexahydrotetracene-2-carboxylate
Other name (3)：
  • (6aR)-6,6a,7,10,10a,11-Hexahydro-3,6aα,7α,10aα,12-pentahydroxy-8-methoxy-1-methyl-6,10,11-trioxo-2-naphthacenecarboxylic acid methyl ester
  • 8-デメチルテトラセノマイシンC
  • 8-Demethyltetracenomycin C
KEGG COMPOUND： C12379
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