Chem
J-GLOBAL ID：200907007187841130   Nikkaji number：J2.533.182F

Oreacerebroside F

オレアセレブロシドF
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： C48H89NO9
Molecular formula furigana： C48-H89-N-O9
Molecular weight： 824.238
InChI： InChI=1S/C48H89NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(52)47(56)49-40(39-57-48-46(55)45(54)44(53)43(38-50)58-48)41(51)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h16,24,26,28,34,36,40-46,48,50-55H,3-15,17-23,25,27,29-33,35,37-39H2,1-2H3,(H,49,56)/b24-16+,28-26+,36-34+/t40-,41+,42+,43+,44-,45-,46+,48+/m0/s1
InChI key： DQZBHYFTNIRPFM-QGSSPCECSA-N
SMILES： CCCCCCCCCCCCCCCCCCCCCC[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=C/CC/C=C/C=C/CCCCCCC
Systematic name  (3)：
  • [(2S,3R,4E,8E,10E)-2-[[(2R)-2-ヒドロキシ-1-オキソテトラコシル]アミノ]-3-ヒドロキシ-4,8,10-オクタデカトリエニル]β-D-ガラクトピラノシド
  • (2R)-2-ヒドロキシ-N-[(2S,3R,4E,8E,10E)-3-ヒドロキシ-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-4,8,10-トリエン-2-イル]テトラコサンアミド
  • (2R)-2-hydroxy-N-[(2S,3R,4E,8E,10E)-3-hydroxy-1-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8,10-trien-2-yl]tetracosanamide
Other name (3)：
  • [(2S,3R,4E,8E,10E)-2-[[(2R)-2-Hydroxy-1-oxotetracosyl]amino]-3-hydroxy-4,8,10-octadecatrienyl]β-D-galactopyranoside
  • オレアセレブロシドF
  • Oreacerebroside F
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