Chem
J-GLOBAL ID：200907027670686502   Nikkaji number：J70.015K

Onopordopicrin

オノポルドピクリン
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： C19H24O6
Molecular formula furigana： C19-H24-O6
Molecular weight： 348.395
InChI： InChI=1S/C19H24O6/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/h5,8,15-17,20-21H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16+,17+/m0/s1
InChI key： NOZAJYKZMCFNFG-WULVTUHRSA-N
SMILES： C/C/1=C\CC/C(=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)CO)/CO
Systematic name  (3)：
  • (3aR,4S,6E,10Z,11aR)-3a,4,5,8,9,11aα-ヘキサヒドロ-10-ヒドロキシメチル-4β-(2-ヒドロキシメチルプロペノイルオキシ)-6-メチル-3-メチレンシクロデカ[b]フラン-2(3H)-オン
  • (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 2-(ヒドロキシメチル)プロパ-2-エノアート
  • (3aR,4S,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate
Other name (3)：
  • オノポルドピクリン
  • Onopordopicrin
  • (3aR,4S,6E,10Z,11aR)-3a,4,5,8,9,11aα-Hexahydro-10-hydroxymethyl-4β-(2-hydroxymethylpropenoyloxy)-6-methyl-3-methylenecyclodeca[b]furan-2(3H)-one
CAS registry number： 19889-00-0
KEGG COMPOUND： C09520
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