Chem
J-GLOBAL ID：201507010926757752   Nikkaji number：J3.371.917E

Epicoccamide A

エピコッカミド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： C29H51NO9
Molecular formula furigana： C29-H51-N-O9
Molecular weight： 557.725
InChI： InChI=1S/C29H51NO9/c1-19(23(32)22-24(33)20(2)30(3)28(22)37)16-14-12-10-8-6-4-5-7-9-11-13-15-17-38-29-27(36)26(35)25(34)21(18-31)39-29/h19-21,25-27,29,31-32,34-36H,4-18H2,1-3H3/t19?,20?,21-,25-,26+,27+,29-/m1/s1
InChI key： GLMMQSHEMIVRFP-XIECNSLGSA-N
SMILES： CC(CCCCCCCCCCCCCCO[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-[16-(β-D-マンノピラノシルオキシ)-1-ヒドロキシ-2-メチルヘキサデシリデン]-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-16-{[(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}ヘキサデシリデン)-1,5-ジメチルピロリジン-2,4-ジオン
  • 3-(1-hydroxy-2-methyl-16-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadecylidene)-1,5-dimethylpyrrolidine-2,4-dione
Other name (3)：
  • 3-[16-(β-D-Mannopyranosyloxy)-1-hydroxy-2-methylhexadecylidene]-1,5-dimethylpyrrolidine-2,4-dione
  • エピコッカミドA
  • Epicoccamide A
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