Chem
J-GLOBAL ID：200907070305670144
Nikkaji number：J1.868.703H
(2S,3R,4E,6R)-2-(Octanoylamino)-4-octadecene-1,3,6-triol
(2S,3R,4E,6R)-2-(オクタノイルアミノ)-4-オクタデセン-1,3,6-トリオール
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
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
Molecular formula： C26H51NO4
Molecular formula furigana： C26-H51-N-O4
Molecular weight： 441.697
InChI：
InChI=1S/C26H51NO4/c1-3-5-7-9-10-11-12-13-15-16-18-23(29)20-21-25(30)24(22-28)27-26(31)19-17-14-8-6-4-2/h20-21,23-25,28-30H,3-19,22H2,1-2H3,(H,27,31)/b21-20+/t23-,24+,25-/m1/s1
InChI key：
YJWFQUBSBBYDJB-KKHHSAPESA-N
SMILES：
CCCCCCCCCCCC[C@@H](O)/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCCCC
Systematic name (3)：
- (2S,3R,4E,6R)-2-(オクタノイルアミノ)-4-オクタデセン-1,3,6-トリオール
- N-[(2S,3R,4E,6R)-1,3,6-トリヒドロキシオクタデカ-4-エン-2-イル]オクタンアミド
- N-[(2S,3R,4E,6R)-1,3,6-trihydroxyoctadec-4-en-2-yl]octanamide
- (2S,3R,4E,6R)-2-(Octanoylamino)-4-octadecene-1,3,6-triol
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