Chem
J-GLOBAL ID：200907054342798198   Nikkaji number：J2.684.659E

(-)-Englerin A

(-)-エングレリンA
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： C26H34O6
Molecular formula furigana： C26-H34-O6
Molecular weight： 442.552
InChI： InChI=1S/C26H34O6/c1-16(2)26-14-20(30-22(29)15-27)25(4,32-26)19-12-10-17(3)23(19)24(26)31-21(28)13-11-18-8-6-5-7-9-18/h5-9,11,13,16-17,19-20,23-24,27H,10,12,14-15H2,1-4H3/b13-11+/t17-,19-,20-,23-,24+,25+,26-/m1/s1
InChI key： GACOFEKSDCOVMV-RRYXBOBMSA-N
SMILES： CC(C)[C@@]12C[C@@H](OC(=O)CO)[C@@](C)(O1)[C@@H]1CC[C@@H](C)[C@H]1[C@@H]2OC(=O)/C=C/c1ccccc1
Systematic name  (4)：
  • けい皮酸(3aα,8aβ)-デカヒドロ-1α,4-ジメチル-5α-(ヒドロキシアセトキシ)-7-(1-メチルエチル)-4α,7α-エポキシアズレン-8β-イル
  • (1R,3aα,8aβ)-1α,4-ジメチル-5α-(ヒドロキシアセトキシ)-7-イソプロピル-8β-(trans-シンナモイルオキシ)-4α,7α-エポキシデカヒドロアズレン
  • (1S,2R,5R,6R,7S,8R,10R)-10-[(2-ヒドロキシアセチル)オキシ]-1,5-ジメチル-8-(プロパン-2-イル)-11-オキサトリシクロ[6.2.1.02,6]ウンデカン-7-イル (2E)-3-フェニルプロパ-2-エノアート
  • (1S,2R,5R,6R,7S,8R,10R)-10-[(2-hydroxyacetyl)oxy]-1,5-dimethyl-8-(propan-2-yl)-11-oxatricyclo[6.2.1.02,6]undecan-7-yl (2E)-3-phenylprop-2-enoate
Other name (4)：
  • Cinnamic acid (3aα,8aβ)-decahydro-1α,4-dimethyl-5α-(hydroxyacetoxy)-7-(1-methylethyl)-4α,7α-epoxyazulene-8β-yl ester
  • (1R,3aα,8aβ)-1α,4-Dimethyl-5α-(hydroxyacetoxy)-7-isopropyl-8β-(trans-cinnamoyloxy)-4α,7α-epoxydecahydroazulene
  • (-)-エングレリンA
  • (-)-Englerin A
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