Chem
J-GLOBAL ID:200907098719955568   Nikkaji number:J228.004C

Aklaviketone

アクラビケトン
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: C22H18O8
Molecular formula furigana: C22-H18-O8
Molecular weight: 410.378
InChI: InChI=1S/C22H18O8/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/h4-7,17,23,27,29H,3,8H2,1-2H3/t17-,22+/m0/s1
InChI key: MHAXMIHGEZOCTQ-HTAPYJJXSA-N
SMILES: CC[C@@]1(O)CC(=O)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC
Systematic name  (3):
  • (1R,2R)-2-エチル-1,2,3,4,6,11-ヘキサヒドロ-2,5,7-トリヒドロキシ-4,6,11-トリオキソ-1β-ナフタセンカルボン酸メチル
  • メチル (1R,2R)-2-エチル-2,5,7-トリヒドロキシ-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 (1R,2R)-2-ethyl-2,5,7-trihydroxy-4,6,11-trioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
Other name (3):
  • アクラビケトン
  • Aklaviketone
  • (1R,2R)-2-Ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-4,6,11-trioxo-1β-naphthacenecarboxylic acid methyl ester
CAS registry number: 116235-59-7
KEGG COMPOUND: C12423
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