Chem
J-GLOBAL ID：201007029530867144   Nikkaji number：J2.819.562A

1-O-β-D-Galactopyranosyl-N-[(2R)-1-oxo-2-hydroxydocosyl]-15-methylphytosphingosine

1-O-β-D-ガラクトピラノシル-N-[(2R)-1-オキソ-2-ヒドロキシドコシル]-15-メチルフィトスフィンゴシン
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： C47H93NO10
Molecular formula furigana： C47-H93-N-O10
Molecular weight： 832.258
InChI： InChI=1S/C47H93NO10/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-27-30-34-40(51)46(56)48-38(36-57-47-45(55)44(54)43(53)41(35-49)58-47)42(52)39(50)33-29-26-23-21-20-22-25-28-32-37(3)31-5-2/h37-45,47,49-55H,4-36H2,1-3H3,(H,48,56)/t37?,38-,39+,40+,41+,42-,43-,44-,45+,47+/m0/s1
InChI key： BRTOWCPWZRJWFD-ZTNOBLIZSA-N
SMILES： CCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCC(C)CCC
Systematic name  (3)：
  • 1-O-β-D-ガラクトピラノシル-N-[(2R)-1-オキソ-2-ヒドロキシドコシル]-15-メチルフィトスフィンゴシン
  • (2R)-N-[(2S,3S,4R)-3,4-ジヒドロキシ-15-メチル-1-{[(2R,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}オクタデカン-2-イル]-2-ヒドロキシドコサンアミド
  • (2R)-N-[(2S,3S,4R)-3,4-dihydroxy-15-methyl-1-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadecan-2-yl]-2-hydroxydocosanamide
Other name (1)：
  • 1-O-β-D-Galactopyranosyl-N-[(2R)-1-oxo-2-hydroxydocosyl]-15-methylphytosphingosine
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