Chem
J-GLOBAL ID：200907063660694147   Nikkaji number：J2.496.995I

N-[(R)-3-[4-(Trifluoromethyl)benzyloxy]octadecanoyl]-1-O-allyl-4-O-benzyl-α-D-glucosamine

N-[(R)-3-[4-(トリフルオロメチル)ベンジルオキシ]オクタデカノイル]-1-O-アリル-4-O-ベンジル-α-D-グルコサミン
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： C42H62F3NO7
Molecular formula furigana： C42-H62-F3-N-O7
Molecular weight： 749.953
InChI： InChI=1S/C42H62F3NO7/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-22-35(51-30-33-23-25-34(26-24-33)42(43,44)45)28-37(48)46-38-39(49)40(52-31-32-20-17-16-18-21-32)36(29-47)53-41(38)50-27-4-2/h4,16-18,20-21,23-26,35-36,38-41,47,49H,2-3,5-15,19,22,27-31H2,1H3,(H,46,48)/t35-,36-,38-,39-,40-,41+/m1/s1
InChI key： CUYVTNVCHMQTJQ-YFJAUJMJSA-N
SMILES： CCCCCCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)[C@@H](CO)O[C@@H]1OCC=C)OCc1ccc(cc1)C(F)(F)F
Systematic name  (3)：
  • N-[(R)-3-[4-(トリフルオロメチル)ベンジルオキシ]オクタデカノイル]-1-O-アリル-4-O-ベンジル-α-D-グルコサミン
  • (3R)-N-[(2S,3R,4R,5S,6R)-5-(ベンジルオキシ)-4-ヒドロキシ-6-(ヒドロキシメチル)-2-(プロパ-2-エン-1-イルオキシ)オキサン-3-イル]-3-{[4-(トリフルオロメチル)フェニル]メトキシ}オクタデカンアミド
  • (3R)-N-[(2S,3R,4R,5S,6R)-5-(benzyloxy)-4-hydroxy-6-(hydroxymethyl)-2-(prop-2-en-1-yloxy)oxan-3-yl]-3-{[4-(trifluoromethyl)phenyl]methoxy}octadecanamide
Other name (1)：
  • N-[(R)-3-[4-(Trifluoromethyl)benzyloxy]octadecanoyl]-1-O-allyl-4-O-benzyl-α-D-glucosamine
Thsaurus map：
Thesaurus Map

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