Chem
J-GLOBAL ID：200907080449038553   Nikkaji number：J1.185.870H

Sequoiatone A

セコイアトンA
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： C23H30O6
Molecular formula furigana： C23-H30-O6
Molecular weight： 402.487
InChI： InChI=1S/C23H30O6/c1-6-7-8-9-10-13(2)20(24)18-19-17(21(25)27-5)15-11-14(3)28-12-16(15)23(19,4)29-22(18)26/h11,13,16H,6-10,12H2,1-5H3/t13-,16+,23-/m0/s1
InChI key： UMDDQZKJZQPILY-LZDDTZTRSA-N
SMILES： CCCCCC[C@H](C)C(=O)C1=C2C(=C3C=C(C)OC[C@H]3[C@]2(C)OC1=O)C(=O)OC
Systematic name  (3)：
  • (3aS)-1-[(S)-2-メチルオクタノイル]-2-オキソ-3aα,6-ジメチル-2,3a,3bβ,4-テトラヒドロ-3,5-ジオキサシクロペンタ[a]インデン-8-カルボン酸メチル
  • メチル (1S,2S)-2,10-ジメチル-5-[(2S)-2-メチルオクタノイル]-4-オキソ-3,11-ジオキサトリシクロ[6.4.0.02,6]ドデカ-5,7,9-トリエン-7-カルボキシラート
  • methyl (1S,2S)-2,10-dimethyl-5-[(2S)-2-methyloctanoyl]-4-oxo-3,11-dioxatricyclo[6.4.0.02,6]dodeca-5,7,9-triene-7-carboxylate
Other name (3)：
  • (3aS)-1-[(S)-2-Methyloctanoyl]-2-oxo-3aα,6-dimethyl-2,3a,3bβ,4-tetrahydro-3,5-dioxacyclopenta[a]indene-8-carboxylic acid methyl ester
  • セコイアトンA
  • Sequoiatone A
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