Chem
J-GLOBAL ID：201307005593991371   Nikkaji number：J3.173.511D

Glycerol phenylbutyrate

グリセロールフェニル酪酸
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： C33H38O6
Molecular formula furigana： C33-H38-O6
Molecular weight： 530.661
InChI： InChI=1S/C33H38O6/c34-31(22-10-19-27-13-4-1-5-14-27)37-25-30(39-33(36)24-12-21-29-17-8-3-9-18-29)26-38-32(35)23-11-20-28-15-6-2-7-16-28/h1-9,13-18,30H,10-12,19-26H2
InChI key： ZSDBFLMJVAGKOU-UHFFFAOYSA-N
SMILES： O=C(CCCc1ccccc1)OCC(COC(=O)CCCc1ccccc1)OC(=O)CCCc1ccccc1
Systematic name  (3)：
  • 1-O,2-O,3-O-トリス(4-フェニルブチリル)グリセロール
  • 1,3-ビス[(4-フェニルブタノイル)オキシ]プロパン-2-イル 4-フェニルブタノアート
  • 1,3-bis[(4-phenylbutanoyl)oxy]propan-2-yl 4-phenylbutanoate
Other name (3)：
  • 1-O,2-O,3-O-Tris(4-phenylbutyryl)glycerol
  • グリセロールフェニル酪酸
  • Glycerol phenylbutyrate
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