Chem
J-GLOBAL ID：200907092170577584   Nikkaji number：J882.046E

2′-O-Acetylsoyacerebroside I

2′-O-アセチルソヤセレブロシド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： C42H77NO10
Molecular formula furigana： C42-H77-N-O10
Molecular weight： 756.075
InChI： InChI=1S/C42H77NO10/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-35(46)34(32-51-42-40(49)39(48)38(47)37(31-44)53-42)43-41(50)36(52-33(3)45)30-28-26-24-22-20-17-15-13-11-9-7-5-2/h19,21,27,29,34-40,42,44,46-49H,4-18,20,22-26,28,30-32H2,1-3H3,(H,43,50)/b21-19+,29-27+/t34-,35+,36+,37+,38+,39-,40+,42+/m0/s1
InChI key： WDCBHOSKEYLUPH-CRKYBBOUSA-N
SMILES： CCCCCCCCCCCCCC[C@@H](OC(=O)C)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/CCCCCCCCC
Systematic name  (3)：
  • (R)-N-[(1S,2R,3E,7E)-1-[(β-D-グルコピラノシルオキシ)メチル]-2-ヒドロキシ-3,7-ヘプタデカジエニル]-2-アセトキシヘキサデカンアミド
  • (1R)-1-{[(2S,3R,4E,8E)-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-ジエン-2-イル]カルバモイル}ペンタデシル アセタート
  • (1R)-1-{[(2S,3R,4E,8E)-3-hydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl]carbamoyl}pentadecyl acetate
Other name (3)：
  • 2′-O-アセチルソヤセレブロシドI
  • 2′-O-Acetylsoyacerebroside I
  • (R)-N-[(1S,2R,3E,7E)-1-[(β-D-Glucopyranosyloxy)methyl]-2-hydroxy-3,7-heptadecadienyl]-2-acetoxyhexadecanamide
Thsaurus map：
Thesaurus Map

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