Chem
J-GLOBAL ID：200907044865140832   Nikkaji number：J14.493B

Aclavinone

アクラビノン
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： C22H20O8
Molecular formula furigana： C22-H20-O8
Molecular weight： 412.394
InChI： InChI=1S/C22H20O8/c1-3-22(29)8-13(24)15-10(17(22)21(28)30-2)7-11-16(20(15)27)19(26)14-9(18(11)25)5-4-6-12(14)23/h4-7,13,17,23-24,27,29H,3,8H2,1-2H3/t13-,17-,22+/m0/s1
InChI key： RACGRCLGVYXIAO-YOKWENHESA-N
SMILES： CC[C@@]1(O)C[C@H](O)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC
Systematic name  (3)：
  • (1R,2R,4S)-2-エチル-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-エチル-2,4,5,7-テトラヒドロキシ-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-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
Other name (4)：
  • アクラビノン
  • Aclavinone
  • Aklavinone
  • (1R,2R,4S)-2-Ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-6,11-dioxo-1-naphthacenecarboxylic acid methyl ester
CAS registry number： 16234-96-1
KEGG COMPOUND： C12424
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