Chem
J-GLOBAL ID：200907065885876077   Nikkaji number：J2.769.864F

10-epi-Eupatoroxin

10-epi-オイパトロキシン
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： C20H24O8
Molecular formula furigana： C20-H24-O8
Molecular weight： 392.404
InChI： InChI=1S/C20H24O8/c1-5-8(2)16(22)26-10-6-19(7-25-19)13-12(21)15-18(4,28-15)20(13,24)14-11(10)9(3)17(23)27-14/h5,10-15,21,24H,3,6-7H2,1-2,4H3/t10-,11-,12-,13+,14+,15+,18+,19-,20-/m1/s1
InChI key： QUSNLLJZMPVTTC-YAYFNSLXSA-N
SMILES： CC=C(C)C(=O)O[C@@H]1C[C@@]2(CO2)[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)：
  • (3aR,4R,6S,6aR,7R,7aS,8aS,8bR,8cS)-3,3a,4,5,6a,7,7a,8a,8b,8c-デカヒドロ-7,8b-ジヒドロキシ-4-(2-メチル-2-ブテノイルオキシ)-8a-メチル-3-メチレン-6,6-(エポキシメタノ)オキシレノ[2,3]アズレノ[4,5-b]フラン-2(6H)-オン
  • (1'R,2S,2'S,6'R,7'R,10'R,11'R,12'S,14'S)-1',11'-ジヒドロキシ-14'-メチル-5'-メチリデン-4'-オキソ-3',13'-ジオキサスピロ[オキシラン-2,9'-テトラシクロ[8.4.0.02,6.012,14]テトラデカン]-7'-イル 2-メチルブタ-2-エノアート
  • (1'R,2S,2'S,6'R,7'R,10'R,11'R,12'S,14'S)-1',11'-dihydroxy-14'-methyl-5'-methylidene-4'-oxo-3',13'-dioxaspiro[oxirane-2,9'-tetracyclo[8.4.0.02,6.012,14]tetradecan]-7'-yl 2-methylbut-2-enoate
Other name (3)：
  • (3aR,4R,6S,6aR,7R,7aS,8aS,8bR,8cS)-3,3a,4,5,6a,7,7a,8a,8b,8c-Decahydro-7,8b-dihydroxy-4-(2-methyl-2-butenoyloxy)-8a-methyl-3-methylene-6,6-(epoxymethano)oxireno[2,3]azuleno[4,5-b]furan-2(6H)-one
  • 10-epi-Eupatoroxin
  • 10-epi-オイパトロキシン
CAS registry number： 20071-54-9
KEGG COMPOUND： C09447
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