Chem
J-GLOBAL ID：200907008130091335   Nikkaji number：J1.028.536D

Cerebroside A

セレブロシドA
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： C41H75NO9
Molecular formula furigana： C41-H75-N-O9
Molecular weight： 726.049
InChI： InChI=1S/C41H75NO9/c1-4-6-8-10-12-13-14-15-16-18-20-24-29-35(45)40(49)42-33(31-50-41-39(48)38(47)37(46)36(30-43)51-41)34(44)28-25-21-23-27-32(3)26-22-19-17-11-9-7-5-2/h24-25,27-29,33-39,41,43-48H,4-23,26,30-31H2,1-3H3,(H,42,49)/t33?,34?,35?,36-,37-,38+,39-,41-/m1/s1
InChI key： SUBYBSQARMSYNW-RVXCDZAFSA-N
SMILES： CCCCCCCCCCCCC=CC(O)C(=O)NC(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)C=CCCC=C(C)CCCCCCCCC
Systematic name  (3)：
  • N-[1-(1-ヒドロキシ-7-メチル-2,6-ヘキサデカジエニル)-2-(β-D-グルコピラノシルオキシ)エチル]-2-ヒドロキシ-3-ヘキサデセン酸アミド
  • 2-ヒドロキシ-N-(3-ヒドロキシ-9-メチル-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)ヘキサデカ-3-エンアミド
  • 2-hydroxy-N-(3-hydroxy-9-methyl-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl)hexadec-3-enamide
Other name (3)：
  • N-[1-(1-Hydroxy-7-methyl-2,6-hexadecadienyl)-2-(β-D-glucopyranosyloxy)ethyl]-2-hydroxy-3-hexadecenoic acidamide
  • セレブロシドA
  • Cerebroside A
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