Chem
J-GLOBAL ID：200907052049277580   Nikkaji number：J2.533.183D

Oreacerebroside G

オレアセレブロシドG
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/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-24-26-30-35-41(51)46(55)48-39(37-56-47-45(54)44(53)43(52)42(36-49)57-47)40(50)34-31-27-29-33-38(3)32-28-25-23-11-9-7-5-2/h28,31-34,39-45,47,49-54H,4-27,29-30,35-37H2,1-3H3,(H,48,55)/b32-28+,34-31+,38-33+/t39-,40+,41+,42+,43-,44-,45+,47+/m0/s1
InChI key： ADGAACRDRIHEAW-TZFZDKQOSA-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=C/CC/C=C(\C)/C=C/CCCCCCC
Systematic name  (3)：
  • [(2S,3R,4E,8E,10E)-2-[[(2R)-2-ヒドロキシ-1-オキソドコシル]アミノ]-3-ヒドロキシ-9-メチル-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-9-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-4,8,10-トリエン-2-イル]ドコサンアミド
  • (2R)-2-hydroxy-N-[(2S,3R,4E,8E,10E)-3-hydroxy-9-methyl-1-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8,10-trien-2-yl]docosanamide
Other name (3)：
  • [(2S,3R,4E,8E,10E)-2-[[(2R)-2-Hydroxy-1-oxodocosyl]amino]-3-hydroxy-9-methyl-4,8,10-octadecatrienyl]β-D-galactopyranoside
  • オレアセレブロシドG
  • Oreacerebroside G
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