Chem
J-GLOBAL ID：200907050503773845   Nikkaji number：J2.767.853J

Borreline

ボルレリン
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： C17H18N2O
Molecular formula furigana： C17-H18-N2-O
Molecular weight： 266.344
InChI： InChI=1S/C17H18N2O/c1-4-17(3)9-11(2)19-16(17)15(20)13-10-18-14-8-6-5-7-12(13)14/h4-8,10,16,18H,1,9H2,2-3H3/t16-,17+/m1/s1
InChI key： WQTYIKZACFUZJB-SJORKVTESA-N
SMILES： CC1=N[C@H](C(=O)c2c[nH]c3ccccc23)[C@](C)(C1)C=C
Systematic name  (3)：
  • 1H-インドール-3-イル[(2S,3R)-3-エテニル-3,4-ジヒドロ-3,5-ジメチル-2H-ピロール-2-イル]メタノン
  • 3-[(2S,3R)-3-エテニル-3,5-ジメチル-3,4-ジヒドロ-2H-ピロール-2-カルボニル]-1H-インドール
  • 3-[(2S,3R)-3-ethenyl-3,5-dimethyl-3,4-dihydro-2H-pyrrole-2-carbonyl]-1H-indole
Other name (3)：
  • 1H-Indole-3-yl[(2S,3R)-3-ethenyl-3,4-dihydro-3,5-dimethyl-2H-pyrrole-2-yl]methanone
  • Borreline
  • ボルレリン
CAS registry number： 64643-94-3
KEGG COMPOUND： C09052
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