Chem
J-GLOBAL ID：200907092086856486   Nikkaji number：J1.132.307C

(7Z,10R,11E,13Z,16Z,19Z)-10-[(4-Bromobenzoyl)oxy]-7,11,13,16,19-docosapentaenoic acid methyl ester

(7Z,10R,11E,13Z,16Z,19Z)-10-[(4-ブロモベンゾイル)オキシ]-7,11,13,16,19-ドコサペンタエン酸メチル
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： C30H39BrO4
Molecular formula furigana： C30-H39-BR-O4
Molecular weight： 543.542
InChI： InChI=1S/C30H39BrO4/c1-3-4-5-6-7-8-9-10-13-16-19-28(35-30(33)26-22-24-27(31)25-23-26)20-17-14-11-12-15-18-21-29(32)34-2/h4-5,7-8,10,13-14,16-17,19,22-25,28H,3,6,9,11-12,15,18,20-21H2,1-2H3/b5-4-,8-7-,13-10-,17-14-,19-16+/t28-/m0/s1
InChI key： LZJKEFJCXFNCDI-VDJRZCOKSA-N
SMILES： CC/C=C\C/C=C\C/C=C\C=C\[C@@H](C/C=C\CCCCCC(=O)OC)OC(=O)c1ccc(Br)cc1
Systematic name  (3)：
  • (7Z,10R,11E,13Z,16Z,19Z)-10-[(4-ブロモベンゾイル)オキシ]-7,11,13,16,19-ドコサペンタエン酸メチル
  • メチル (7Z,10R,11E,13Z,16Z,19Z)-10-[(E,Z,Z,Z,Z)-4-ブロモベンゾイルオキシ]ドコサ-7,11,13,16,19-ペンタエノアート
  • methyl (7Z,10R,11E,13Z,16Z,19Z)-10-[(E,Z,Z,Z,Z)-4-bromobenzoyloxy]docosa-7,11,13,16,19-pentaenoate
Other name (1)：
  • (7Z,10R,11E,13Z,16Z,19Z)-10-[(4-Bromobenzoyl)oxy]-7,11,13,16,19-docosapentaenoic acid methyl ester
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