Chem
J-GLOBAL ID：201507079730212642   Nikkaji number：J3.371.918C

Epicoccamide E

エピコッカミドE
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： C31H55NO9
Molecular formula furigana： C31-H55-N-O9
Molecular weight： 585.779
InChI： InChI=1S/C31H55NO9/c1-21(25(34)24-26(35)22(2)32(3)30(24)39)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-40-31-29(38)28(37)27(36)23(20-33)41-31/h21-23,27-29,31,33-34,36-38H,4-20H2,1-3H3/t21?,22?,23-,27-,28+,29+,31-/m1/s1
InChI key： CAZGEEOKPVVGSL-TWGBMDCUSA-N
SMILES： CC(CCCCCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=C1C(=O)C(C)N(C)C1=O)O
Systematic name  (3)：
  • 3-[18-(β-D-マンノピラノシルオキシ)-1-ヒドロキシ-2-メチルオクタデカン-1-イリデン]-1,5-ジメチルピロリジン-2,4-ジオン
  • 3-(1-ヒドロキシ-2-メチル-18-{[(2R,3S,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}オクタデシリデン)-1,5-ジメチルピロリジン-2,4-ジオン
  • 3-(1-hydroxy-2-methyl-18-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadecylidene)-1,5-dimethylpyrrolidine-2,4-dione
Other name (3)：
  • 3-[18-(β-D-Mannopyranosyloxy)-1-hydroxy-2-methyloctadecane-1-ylidene]-1,5-dimethylpyrrolidine-2,4-dione
  • エピコッカミドE
  • Epicoccamide E
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