Chem
J-GLOBAL ID：200907001506964586   Nikkaji number：J2.568.741H

3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propanoic acid [(1β,4β)-bicyclo[2.2.1]hepta-5-ene-2-yl]methyl ester

3-(3,5-ジ-tert-ブチル-4-ヒドロキシフェニル)プロパン酸[(1β,4β)-ビシクロ[2.2.1]ヘプタ-5-エン-2-イル]メチル
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： C25H36O3
Molecular formula furigana： C25-H36-O3
Molecular weight： 384.560
InChI： InChI=1S/C25H36O3/c1-24(2,3)20-13-17(14-21(23(20)27)25(4,5)6)8-10-22(26)28-15-19-12-16-7-9-18(19)11-16/h7,9,13-14,16,18-19,27H,8,10-12,15H2,1-6H3/t16-,18+,19?/m1/s1
InChI key： RNLUXDVWIUMJSB-FAZYOCGDSA-N
SMILES： CC(C)(C)c1cc(CCC(=O)OCC2C[C@H]3C[C@@H]2C=C3)cc(c1O)C(C)(C)C
Systematic name  (3)：
  • 3-(3,5-ジ-tert-ブチル-4-ヒドロキシフェニル)プロパン酸[(1β,4β)-ビシクロ[2.2.1]ヘプタ-5-エン-2-イル]メチル
  • [(1R,4R)-ビシクロ[2.2.1]ヘプタ-5-エン-2-イル]メチル 3-(3,5-ジ-tert-ブチル-4-ヒドロキシフェニル)プロパノアート
  • [(1R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate
Other name (1)：
  • 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propanoic acid [(1β,4β)-bicyclo[2.2.1]hepta-5-ene-2-yl]methyl ester
Thsaurus map：
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