Chem
J-GLOBAL ID：200907039435067674   Nikkaji number：J950.690J

4-Demethylpremithramycinone

4-デメチルプレミトラマイシノン
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： C20H16O9
Molecular formula furigana： C20-H16-O9
Molecular weight： 400.339
InChI： InChI=1S/C20H16O9/c1-6(21)12-17(26)15(24)10-4-8-2-7-3-9(22)5-11(23)13(7)16(25)14(8)19(28)20(10,29)18(12)27/h2-3,5,10,15,22-26,29H,4H2,1H3/t10-,15-,20+/m0/s1
InChI key： PVBMPOWPNVAEKO-KAFSRPFYSA-N
SMILES： CC(=O)C1=C(O)[C@@H](O)[C@@H]2Cc3cc4cc(O)cc(O)c4c(O)c3C(=O)[C@]2(O)C1=O
Systematic name  (4)：
  • (4S)-2-アセチル-3,4β,8,10,11,12aβ-ヘキサヒドロキシ-4aβ,12a-ジヒドロナフタセン-1,12(4H,5H)-ジオン
  • (4S,4aS,12aS)-2-アセチル-4a,12a-ジヒドロ-3,4,8,10,11,12a-ヘキサヒドロキシ-1,12(4H,5H)-ナフタセンジオン
  • (4S,4aS,12aS)-2-アセチル-3,4,8,10,11,12a-ヘキサヒドロキシ-1,4,4a,5,12,12a-ヘキサヒドロテトラセン-1,12-ジオン
  • (4S,4aS,12aS)-2-acetyl-3,4,8,10,11,12a-hexahydroxy-1,4,4a,5,12,12a-hexahydrotetracene-1,12-dione
Other name (4)：
  • (4S)-2-Acetyl-3,4β,8,10,11,12aβ-hexahydroxy-4aβ,12a-dihydronaphthacene-1,12(4H,5H)-dione
  • (4S,4aS,12aS)-2-Acetyl-4a,12a-dihydro-3,4,8,10,11,12a-hexahydroxy-1,12(4H,5H)-naphthacenedione
  • 4-デメチルプレミトラマイシノン
  • 4-Demethylpremithramycinone
KEGG COMPOUND： C12382
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