Chem
J-GLOBAL ID：200907043897298539   Nikkaji number：J2.761.732H

(3R,9R)-3,9-Diacetoxyicosanoic acid (1S)-1-(acetoxymethyl)-2-hydroxyethyl ester

(3R,9R)-3,9-ジアセトキシイコサン酸(1S)-1-(アセトキシメチル)-2-ヒドロキシエチル
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： C29H52O9
Molecular formula furigana： C29-H52-O9
Molecular weight： 544.726
InChI： InChI=1S/C29H52O9/c1-5-6-7-8-9-10-11-12-14-17-26(36-24(3)32)18-15-13-16-19-27(37-25(4)33)20-29(34)38-28(21-30)22-35-23(2)31/h26-28,30H,5-22H2,1-4H3/t26-,27-,28+/m1/s1
InChI key： PNQJZLLFGFJSJY-FCEKVYKBSA-N
SMILES： CCCCCCCCCCC[C@H](CCCCC[C@H](CC(=O)O[C@@H](CO)COC(=O)C)OC(=O)C)OC(=O)C
Systematic name  (3)：
  • (3R,9R)-3,9-ジアセトキシイコサン酸(1S)-1-(アセトキシメチル)-2-ヒドロキシエチル
  • (2S)-1-(アセチルオキシ)-3-ヒドロキシプロパン-2-イル (3R,9R)-3,9-ビス(アセチルオキシ)イコサノアート
  • (2S)-1-(acetyloxy)-3-hydroxypropan-2-yl (3R,9R)-3,9-bis(acetyloxy)icosanoate
Other name (1)：
  • (3R,9R)-3,9-Diacetoxyicosanoic acid (1S)-1-(acetoxymethyl)-2-hydroxyethyl ester
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