Chem
J-GLOBAL ID：201507009981964441   Nikkaji number：J3.405.290E

Coeligiosin A

セリギオシン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： C40H60N4O
Molecular formula furigana： C40-H60-N4-O
Molecular weight： 612.947
InChI： InChI=1S/C40H60N4O/c1-4-6-8-10-12-14-16-18-20-23-32-26-28-35(42-32)39(40-38(45-3)31-37(44-40)34-25-22-30-41-34)36-29-27-33(43-36)24-21-19-17-15-13-11-9-7-5-2/h22,25-31,41-43H,4-21,23-24H2,1-3H3
InChI key： PORBGBCZJXACJU-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCc1ccc([nH]1)C(=C1N=C(C=C1OC)c1ccc[nH]1)c1ccc(CCCCCCCCCCC)[nH]1
Systematic name  (3)：
  • 3-メトキシ-5-(1H-ピロール-2-イル)-2-[ビス(5-ウンデシル-1H-ピロール-2-イル)メチレン]-2H-ピロール
  • 5'-[ビス(5-ウンデシル-1H-ピロール-2-イル)メチリデン]-4'-メトキシ-1H,5'H-2,2'-ビピロール
  • 5'-[bis(5-undecyl-1H-pyrrol-2-yl)methylidene]-4'-methoxy-1H,5'H-2,2'-bipyrrole
Other name (3)：
  • 3-Methoxy-5-(1H-pyrrole-2-yl)-2-[bis(5-undecyl-1H-pyrrole-2-yl)methylene]-2H-pyrrole
  • セリギオシンA
  • Coeligiosin A
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