Chem
J-GLOBAL ID：200907055386681626   Nikkaji number：J2.533.185K

Oreacerebroside I

オレアセレブロシドI
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： C49H91NO9
Molecular formula furigana： C49-H91-N-O9
Molecular weight： 838.265
InChI： InChI=1S/C49H91NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-32-37-43(53)48(57)50-41(39-58-49-47(56)46(55)45(54)44(38-51)59-49)42(52)36-33-29-31-35-40(3)34-30-27-25-11-9-7-5-2/h30,33-36,41-47,49,51-56H,4-29,31-32,37-39H2,1-3H3,(H,50,57)/b34-30+,36-33+,40-35+/t41-,42+,43+,44+,45-,46-,47+,49+/m0/s1
InChI key： XOUUYTODOBFFFN-JPDCIDDNSA-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=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-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]テトラコサンアミド
  • (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]tetracosanamide
Other name (3)：
  • [(2S,3R,4E,8E,10E)-2-[[(2R)-2-Hydroxy-1-oxotetracosyl]amino]-3-hydroxy-9-methyl-4,8,10-octadecatrienyl]β-D-galactopyranoside
  • オレアセレブロシドI
  • Oreacerebroside I
Thsaurus map：
Thesaurus Map

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