Chem
J-GLOBAL ID：200907022439716847   Nikkaji number：J1.111.659K

Eupaglehnin B

オイパグレーニンB
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/c1-13-6-5-7-14(2)11-19(20-15(3)21(25)28-18(20)10-13)29-22(26)17(8-9-23)12-27-16(4)24/h7-8,10,18-20,23H,3,5-6,9,11-12H2,1-2,4H3/b13-10+,14-7+,17-8+/t18-,19-,20+/m1/s1
InChI key： GAXRUMYQEOEBKW-UHIMBCETSA-N
SMILES： CC(=O)OC/C(=C\CO)/C(=O)O[C@@H]1C/C(=C/CC/C(=C/[C@H]2OC(=O)C(=C)[C@H]12)/C)/C
Systematic name  (4)：
  • (E)-2-(アセトキシメチル)-4-ヒドロキシ-2-ブテン酸[(3aR,4R,6E,10E,11aR)-2,3,3a,4,5,8,9,11a-オクタヒドロ-2-オキソ-3-メチレン-6,10-ジメチルシクロデカ[b]フラン]-4-イル
  • (3aR,4R,6E,10E,11aR)-3-メチレン-4-[[(E)-2-(アセトキシメチル)-4-ヒドロキシ-2-ブテノイル]オキシ]-6,10-ジメチル-2,3,3a,4,5,8,9,11a-オクタヒドロシクロデカ[b]フラン-2-オン
  • (3aR,4R,11aR)-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 (2E)-2-[(アセチルオキシ)メチル]-4-ヒドロキシブタ-2-エノアート
  • (3aR,4R,11aR)-6,10-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2E)-2-[(acetyloxy)methyl]-4-hydroxybut-2-enoate
Other name (4)：
  • (E)-2-(Acetoxymethyl)-4-hydroxy-2-butenoic acid [(3aR,4R,6E,10E,11aR)-2,3,3a,4,5,8,9,11a-octahydro-2-oxo-3-methylene-6,10-dimethylcyclodeca[b]furan]-4-yl ester
  • (3aR,4R,6E,10E,11aR)-3-Methylene-4-[[(E)-2-(acetoxymethyl)-4-hydroxy-2-butenoyl]oxy]-6,10-dimethyl-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-2-one
  • オイパグレーニンB
  • Eupaglehnin B
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