Chem
J-GLOBAL ID：200907083263042479   Nikkaji number：J20.141C

Tagitinin C

タギチニンC
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)17(21)25-15-9-19(5,23)7-6-13(20)11(3)8-14-16(15)12(4)18(22)24-14/h6-8,10,14-16,23H,4,9H2,1-3,5H3/b7-6+,11-8-/t14-,15-,16+,19+/m1/s1
InChI key： DUQSSEQKLJQACA-FESGBCJUSA-N
SMILES： CC(C)C(=O)O[C@@H]1C[C@@](C)(O)/C=C/C(=O)/C(=C\[C@H]2OC(=O)C(=C)[C@H]12)/C
Systematic name  (4)：
  • 2-メチルプロパン酸(3aR,4R,6R,7E,10Z,11aR)-2,3,3a,4,5,6,9,11a-オクタヒドロ-6-ヒドロキシ-6,10-ジメチル-3-メチレン-2,9-ジオキソシクロデカ[b]フラン-4-イル
  • (4R,6R,7E,10Z)-2,3,3aβ,4,5,6,9,11aα-オクタヒドロ-3-メチレン-6-ヒドロキシ-2,9-ジオキソ-4-(2-メチルプロパノイルオキシ)-6,10-ジメチルシクロデカ[b]フラン
  • (3aR,4R,6R,11aR)-6-ヒドロキシ-6,10-ジメチル-3-メチリデン-2,9-ジオキソ-2H,3H,3aH,4H,5H,6H,9H,11aH-シクロデカ[b]フラン-4-イル 2-メチルプロパノアート
  • (3aR,4R,6R,11aR)-6-hydroxy-6,10-dimethyl-3-methylidene-2,9-dioxo-2H,3H,3aH,4H,5H,6H,9H,11aH-cyclodeca[b]furan-4-yl 2-methylpropanoate
Other name (4)：
  • タギチニンC
  • Tagitinin C
  • 2-Methylpropanoic acid (3aR,4R,6R,7E,10Z,11aR)-2,3,3a,4,5,6,9,11a-octahydro-6-hydroxy-6,10-dimethyl-3-methylene-2,9-dioxocyclodeca[b]furan-4-yl ester
  • (4R,6R,7E,10Z)-2,3,3aβ,4,5,6,9,11aα-Octahydro-3-methylene-6-hydroxy-2,9-dioxo-4-(2-methylpropanoyloxy)-6,10-dimethylcyclodeca[b]furan
CAS registry number： 59979-56-5
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