Chem
J-GLOBAL ID:201207060386656787   Nikkaji number:J3.119.081I

5-epi-Epicoccarine A

5-epi-エピコッカリン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: C23H31NO4
Molecular formula furigana: C23-H31-N-O4
Molecular weight: 385.504
InChI: InChI=1S/C23H31NO4/c1-5-6-14(2)11-15(3)12-16(4)21(26)20-22(27)19(24-23(20)28)13-17-7-9-18(25)10-8-17/h6-10,15-16,19,25-26H,5,11-13H2,1-4H3,(H,24,28)/t15-,16-,19+/m0/s1
InChI key: KGVANRZKBPUYPV-TXPKVOOTSA-N
SMILES: CCC=C(C)C[C@H](C)C[C@H](C)C(=C1C(=O)N[C@H](Cc2ccc(O)cc2)C1=O)O
Systematic name  (3):
  • 3-[(2S,4R)-1-ヒドロキシ-2,4,6-トリメチル-6-ノネン-1-イリデン]-5β-(4-ヒドロキシベンジル)ピロリジン-2,4-ジオン
  • (5R)-3-[(2S,4R)-1-ヒドロキシ-2,4,6-トリメチルノナ-6-エン-1-イリデン]-5-[(4-ヒドロキシフェニル)メチル]ピロリジン-2,4-ジオン
  • (5R)-3-[(2S,4R)-1-hydroxy-2,4,6-trimethylnon-6-en-1-ylidene]-5-[(4-hydroxyphenyl)methyl]pyrrolidine-2,4-dione
Other name (3):
  • 3-[(2S,4R)-1-Hydroxy-2,4,6-trimethyl-6-nonene-1-ylidene]-5β-(4-hydroxybenzyl)pyrrolidine-2,4-dione
  • 5-epi-エピコッカリンA
  • 5-epi-Epicoccarine A
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