Chem
J-GLOBAL ID：200907009787357170   Nikkaji number：J19.846C

Eupatocunin

オイパトクニン
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： C22H28O7
Molecular formula furigana： C22-H28-O7
Molecular weight： 404.459
InChI： InChI=1S/C22H28O7/c1-7-11(2)21(25)29-20-18-14(5)22(26)28-17(18)10-13(4)16(27-15(6)23)9-8-12(3)19(20)24/h7-8,10,16-20,24H,5,9H2,1-4,6H3
InChI key： JWMHJIFDEKQJQY-UHFFFAOYSA-N
SMILES： CC=C(C)C(=O)OC1C2C(OC(=O)C2=C)C=C(C)C(CC=C(C)C1O)OC(=O)C
Systematic name  (3)：
  • 2-メチル-2-ブテン酸[9-アセトキシ-2,3,3a,4,5,8,9,11a-オクタヒドロ-5-ヒドロキシ-6,10-ジメチル-3-メチレン-2-オキソシクロデカ[b]フラン-4-イル]
  • 9-(アセチルオキシ)-5-ヒドロキシ-6,10-ジメチル-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-メチルブタ-2-エノアート
  • 9-(acetyloxy)-5-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl 2-methylbut-2-enoate
Other name (3)：
  • オイパトクニン
  • Eupatocunin
  • 2-Methyl-2-butenoic acid [9-acetoxy-2,3,3a,4,5,8,9,11a-octahydro-5-hydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl] ester
CAS registry number： 33853-87-1
KEGG COMPOUND： C09437
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