Chem
J-GLOBAL ID：200907044957602816   Nikkaji number：J2.684.658G

Cinnamic acid (3aβ,8aα)-decahydro-1β,4-dimethyl-5β-(hydroxyacetoxy)-7-(1-methylethyl)-4β,7β-epoxyazulene-8α-yl ester

けい皮酸(3aβ,8aα)-デカヒドロ-1β,4-ジメチル-5β-(ヒドロキシアセトキシ)-7-(1-メチルエチル)-4β,7β-エポキシアズレン-8α-イル
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-/m0/s1
InChI key： GACOFEKSDCOVMV-SXLDPMEESA-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  (3)：
  • けい皮酸(3aβ,8aα)-デカヒドロ-1β,4-ジメチル-5β-(ヒドロキシアセトキシ)-7-(1-メチルエチル)-4β,7β-エポキシアズレン-8α-イル
  • (1R,2S,5S,6S,7R,8S,10S)-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
  • (1R,2S,5S,6S,7R,8S,10S)-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 (1)：
  • Cinnamic acid (3aβ,8aα)-decahydro-1β,4-dimethyl-5β-(hydroxyacetoxy)-7-(1-methylethyl)-4β,7β-epoxyazulene-8α-yl ester
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