Chem
J-GLOBAL ID：200907087389993296   Nikkaji number：J1.540.768I

2-[(R)-6-Hydroxyheptyl]-4,6-dihydroxybenzoic acid isobutyl ester

2-[(R)-6-ヒドロキシヘプチル]-4,6-ジヒドロキシ安息香酸イソブチル
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： C18H28O5
Molecular formula furigana： C18-H28-O5
Molecular weight： 324.417
InChI： InChI=1S/C18H28O5/c1-12(2)11-23-18(22)17-14(9-15(20)10-16(17)21)8-6-4-5-7-13(3)19/h9-10,12-13,19-21H,4-8,11H2,1-3H3/t13-/m1/s1
InChI key： AQHLUHYFPUZAFF-CYBMUJFWSA-N
SMILES： CC(C)COC(=O)c1c(O)cc(O)cc1CCCCC[C@@H](C)O
Systematic name  (4)：
  • 2,4-ジヒドロキシ-6-[(6R)-6-ヒドロキシヘプチル]安息香酸イソブチル
  • 2-[(R)-6-ヒドロキシヘプチル]-4,6-ジヒドロキシ安息香酸イソブチル
  • 2-メチルプロピル 2,4-ジヒドロキシ-6-[(6R)-6-ヒドロキシヘプチル]ベンゾアート
  • 2-methylpropyl 2,4-dihydroxy-6-[(6R)-6-hydroxyheptyl]benzoate
Other name (2)：
  • 2,4-Dihydroxy-6-[(6R)-6-hydroxyheptyl]benzoic acid isobutyl ester
  • 2-[(R)-6-Hydroxyheptyl]-4,6-dihydroxybenzoic acid isobutyl ester
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