Chem
J-GLOBAL ID:200907026536716610
Nikkaji number:J2.761.739E
(3R,9R)-3-Acetoxy-9-hydroxyicosanoic acid 1-(hydroxymethyl)-2-hydroxyethyl ester
(3R,9R)-3-アセトキシ-9-ヒドロキシイコサン酸1-(ヒドロキシメチル)-2-ヒドロキシエチル
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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:
C25 H48 O7
Molecular formula furigana:
C25-H48-O7
Molecular weight:
460.652
InChI:
InChI=1S/C25H48O7/c1-3-4-5-6-7-8-9-10-12-15-22(29)16-13-11-14-17-23(31-21(2)28)18-25(30)32-24(19-26)20-27/h22-24,26-27,29H,3-20H2,1-2H3/t22-,23-/m1/s1
InChI key:
PTFDBWHWQOCTRW-DHIUTWEWSA-N
SMILES:
CCCCCCCCCCC[C@@H](O)CCCCC[C@H](CC(=O)OC(CO)CO)OC(=O)C
Systematic name (3):
(3R,9R)-3-アセトキシ-9-ヒドロキシイコサン酸1-(ヒドロキシメチル)-2-ヒドロキシエチル
1,3-ジヒドロキシプロパン-2-イル (3R,9R)-3-(アセチルオキシ)-9-ヒドロキシイコサノアート
1,3-dihydroxypropan-2-yl (3R,9R)-3-(acetyloxy)-9-hydroxyicosanoate
Other name (1):
(3R,9R)-3-Acetoxy-9-hydroxyicosanoic acid 1-(hydroxymethyl)-2-hydroxyethyl ester
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