Chem
J-GLOBAL ID:200907048775029920   Nikkaji number:J1.811.424K

4-Octadecylcinnamic acid 5β-hexyl-1,4-dioxane-2β-yl ester

4-オクタデシルけい皮酸5β-ヘキシル-1,4-ジオキサン-2β-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: C37H62O4
Molecular formula furigana: C37-H62-O4
Molecular weight: 570.899
InChI: InChI=1S/C37H62O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-33-25-27-34(28-26-33)29-30-36(38)41-37-32-39-35(31-40-37)24-22-8-6-4-2/h25-30,35,37H,3-24,31-32H2,1-2H3/b30-29+/t35-,37-/m0/s1
InChI key: AEMGQNKTMWBROW-GYNGMEDJSA-N
SMILES: CCCCCCCCCCCCCCCCCCc1ccc(/C=C/C(=O)O[C@H]2CO[C@@H](CCCCCC)CO2)cc1
Systematic name  (3):
  • 4-オクタデシルけい皮酸5β-ヘキシル-1,4-ジオキサン-2β-イル
  • (2S,5S)-5-ヘキシル-1,4-ジオキサン-2-イル (2E)-3-(4-オクタデシルフェニル)プロパ-2-エノアート
  • (2S,5S)-5-hexyl-1,4-dioxan-2-yl (2E)-3-(4-octadecylphenyl)prop-2-enoate
Other name (1):
  • 4-Octadecylcinnamic acid 5β-hexyl-1,4-dioxane-2β-yl ester
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