Chem
J-GLOBAL ID：200907001011249651   Nikkaji number：J20.604K

Acantholide

アカントリド
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： C19H24O6
Molecular formula furigana： C19-H24-O6
Molecular weight： 348.395
InChI： InChI=1S/C19H24O6/c1-10(2)18(22)25-17-13(9-20)7-5-6-11(3)8-14-15(16(17)21)12(4)19(23)24-14/h7-10,14-17,21H,4-6H2,1-3H3/b11-8+,13-7-/t14-,15+,16+,17?/m1/s1
InChI key： MWYCMNPDBWRCKB-VNAZAYQNSA-N
SMILES： CC(C)C(=O)OC1[C@@H](O)[C@@H]2[C@H](OC(=O)C2=C)/C=C(\C)/CC/C=C\1/C=O
Systematic name  (3)：
  • 2-メチルプロパン酸[(3aR,4S,5S,6E,10E,11aR)-6-ホルミル-2,3,3a,4,5,8,9,11a-オクタヒドロ-4-ヒドロキシ-10-メチル-3-メチレン-2-オキソシクロデカ[b]フラン-5-イル]
  • (3aR,4S,5S,11aR)-6-ホルミル-4-ヒドロキシ-10-メチル-3-メチリデン-2-オキソ-2H,3H,3aH,4H,5H,8H,9H,11aH-シクロデカ[b]フラン-5-イル 2-メチルプロパノアート
  • (3aR,4S,5S,11aR)-6-formyl-4-hydroxy-10-methyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-5-yl 2-methylpropanoate
Other name (3)：
  • アカントリド
  • Acantholide
  • 2-Methylpropanoic acid [(3aR,4S,5S,6E,10E,11aR)-6-formyl-2,3,3a,4,5,8,9,11a-octahydro-4-hydroxy-10-methyl-3-methylene-2-oxocyclodeca[b]furan-5-yl] ester
CAS registry number： 72548-16-4
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