Chem
J-GLOBAL ID：200907075033208634   Nikkaji number：J16.115B

Eupatundin

オイパツンジン
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： C20H24O7
Molecular formula furigana： C20-H24-O7
Molecular weight： 376.405
InChI： InChI=1S/C20H24O7/c1-6-8(2)17(22)25-11-7-9(3)13-14(21)16-19(5,27-16)20(13,24)15-12(11)10(4)18(23)26-15/h6,11-16,21,24H,3-4,7H2,1-2,5H3/b8-6-/t11-,12-,13-,14+,15+,16-,19-,20-/m1/s1
InChI key： NFHWFFQENCGSQZ-VAGPNBDPSA-N
SMILES： C/C=C(/C)\C(=O)O[C@@H]1CC(=C)[C@@H]2[C@H](O)[C@H]3O[C@@]3(C)[C@]2(O)[C@H]2OC(=O)C(=C)[C@H]12
Systematic name  (3)：
  • (Z)-2-メチル-2-ブテン酸(3aR,6aβ,7aα,8cα)-ドデカヒドロ-7α,8bβ-ジヒドロキシ-8aα-メチル-3,6-ビス(メチレン)-2-オキソオキシレノ[2,3]アズレノ[4,5-b]フラン-4α-イル
  • (1R,2S,6R,7R,10R,11S,12R,14R)-1,11-ジヒドロキシ-14-メチル-5,9-ジメチリデン-4-オキソ-3,13-ジオキサテトラシクロ[8.4.0.02,6.012,14]テトラデカン-7-イル (2Z)-2-メチルブタ-2-エノアート
  • (1R,2S,6R,7R,10R,11S,12R,14R)-1,11-dihydroxy-14-methyl-5,9-dimethylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-7-yl (2Z)-2-methylbut-2-enoate
Other name (3)：
  • オイパツンジン
  • Eupatundin
  • (Z)-2-Methyl-2-butenoic acid (3aR,6aβ,7aα,8cα)-dodecahydro-7α,8bβ-dihydroxy-8aα-methyl-3,6-bis(methylene)-2-oxooxireno[2,3]azuleno[4,5-b]furan-4α-yl ester
CAS registry number： 20071-53-8
KEGG COMPOUND： C09448
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