Chem
J-GLOBAL ID：200907075406298469   Nikkaji number：J2.533.179F

Oreacerebroside B

オレアセレブロシドB
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： C47H87NO9
Molecular formula furigana： C47-H87-N-O9
Molecular weight： 810.211
InChI： InChI=1S/C47H87NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(51)46(55)48-39(38-56-47-45(54)44(53)43(52)42(37-49)57-47)40(50)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h16,23,25,27,33,35,39-45,47,49-54H,3-15,17-22,24,26,28-32,34,36-38H2,1-2H3,(H,48,55)/b23-16+,27-25+,35-33+/t39-,40+,41+,42+,43+,44-,45+,47+/m0/s1
InChI key： CZNRRWWBQPYDAR-XEWMGUQSSA-N
SMILES： CCCCCCCCCCCCCCCCCCCCC[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-オキソトリコシル]アミノ]-3-ヒドロキシ-4,8,10-オクタデカトリエニル]β-D-グルコピラノシド
  • (2R)-2-ヒドロキシ-N-[(2S,3R,4E,8E,10E)-3-ヒドロキシ-1-{[(2R,3R,4S,5S,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]トリコサンアミド
  • (2R)-2-hydroxy-N-[(2S,3R,4E,8E,10E)-3-hydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8,10-trien-2-yl]tricosanamide
Other name (3)：
  • [(2S,3R,4E,8E,10E)-2-[[(2R)-2-Hydroxy-1-oxotricosyl]amino]-3-hydroxy-4,8,10-octadecatrienyl]β-D-glucopyranoside
  • オレアセレブロシドB
  • Oreacerebroside B
Thsaurus map：
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