Chem
J-GLOBAL ID：200907005304071402   Nikkaji number：J2.496.922C

(R)-3-Isobutylpentanedioic acid 1-cinnamyl ester

(R)-3-イソブチルペンタン二酸1-シンナミル
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： C18H24O4
Molecular formula furigana： C18-H24-O4
Molecular weight： 304.386
InChI： InChI=1S/C18H24O4/c1-14(2)11-16(12-17(19)20)13-18(21)22-10-6-9-15-7-4-3-5-8-15/h3-9,14,16H,10-13H2,1-2H3,(H,19,20)/b9-6+/t16-/m1/s1
InChI key： MGVVMFADMMWPCK-YXMGTMDOSA-N
SMILES： CC(C)C[C@H](CC(=O)O)CC(=O)OC/C=C/c1ccccc1
Systematic name  (3)：
  • (R)-3-イソブチルペンタン二酸1-シンナミル
  • (3R)-5-メチル-3-(2-オキソ-2-{[(2E)-3-フェニルプロパ-2-エン-1-イル]オキシ}エチル)ヘキサン酸
  • (3R)-5-methyl-3-(2-oxo-2-{[(2E)-3-phenylprop-2-en-1-yl]oxy}ethyl)hexanoic acid
Other name (1)：
  • (R)-3-Isobutylpentanedioic acid 1-cinnamyl ester
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