Chem
J-GLOBAL ID：200907026867504230   Nikkaji number：J16.660J

Arctiopicrin

アルクチオピクリン
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： C19H26O6
Molecular formula furigana： C19-H26-O6
Molecular weight： 350.411
InChI： InChI=1S/C19H26O6/c1-11-5-4-6-14(10-21)8-16-17(13(3)19(23)25-16)15(7-11)24-18(22)12(2)9-20/h5,8,12,15-17,20-21H,3-4,6-7,9-10H2,1-2H3/t12?,15?,16-,17-/m1/s1
InChI key： VOOFFTMORIBISQ-PLOGVPAPSA-N
SMILES： CC(CO)C(=O)OC1CC(=CCCC(=C[C@H]2OC(=O)C(=C)[C@H]12)CO)C
Systematic name  (3)：
  • 3-ヒドロキシ-2-メチルプロピオン酸[(3aR)-2,3,3aβ,4,5,8,9,11aα-オクタヒドロ-10-ヒドロキシメチル-6-メチル-3-メチレン-2-オキソシクロデカ[b]フラン-4β-イル]
  • (3aR,4S,11aR)-10-(ヒドロキシメチル)-6-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-4-イル 3-ヒドロキシ-2-メチルプロパノアート
  • (3aR,4S,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl 3-hydroxy-2-methylpropanoate
Other name (3)：
  • アルクチオピクリン
  • Arctiopicrin
  • 3-Hydroxy-2-methylpropionic acid [(3aR)-2,3,3aβ,4,5,8,9,11aα-octahydro-10-hydroxymethyl-6-methyl-3-methylene-2-oxocyclodeca[b]furan-4β-yl] ester
CAS registry number： 19889-01-1
KEGG COMPOUND： C09297
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