Chem
J-GLOBAL ID：202007012593099055
Nikkaji number：J3.750.272C
(2S,3R,4S)-1-ペンタコサノイル-2-テトラデシル-4-[[[(2S,3R,4S,5R,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ]メチル]アゼチジン-3-オール
(2S,3R,4S)-1-ペンタコサノイル-2-テトラデシル-4-[[[(2S,3R,4S,5R,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ]メチル]アゼチジン-3-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： C49H95NO8
Molecular formula furigana： C49-H95-N-O8
Molecular weight： 826.298
InChI：
InChI=1S/C49H95NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-44(52)50-41(37-35-33-31-29-27-16-14-12-10-8-6-4-2)45(53)42(50)40-57-49-48(56)47(55)46(54)43(39-51)58-49/h41-43,45-49,51,53-56H,3-40H2,1-2H3/t41-,42-,43+,45+,46-,47-,48+,49-/m0/s1
InChI key：
PBULVJIGZONXTL-NLMZGSHHSA-N
SMILES：
[C@H]1([C@@H](N([C@H]1CO[C@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)C(=O)CCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCC)O
Systematic name (3)：
- (2S,3R,4S)-1-ペンタコサノイル-2-テトラデシル-4-[[[(2S,3R,4S,5R,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ]メチル]アゼチジン-3-オール
- 1-[(2S,3R,4S)-3-ヒドロキシ-2-テトラデシル-4-({[(2S,3R,4S,5R,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}メチル)アゼチジン-1-イル]ペンタコサン-1-オン
- 1-[(2S,3R,4S)-3-hydroxy-2-tetradecyl-4-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)azetidin-1-yl]pentacosan-1-one
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