Chem
J-GLOBAL ID：200907089589301685   Nikkaji number：J13.983A

Xylopine

キシロピン
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： C18H17NO3
Molecular formula furigana： C18-H17-N-O3
Molecular weight： 295.338
InChI： InChI=1S/C18H17NO3/c1-20-12-2-3-13-11(6-12)7-14-16-10(4-5-19-14)8-15-18(17(13)16)22-9-21-15/h2-3,6,8,14,19H,4-5,7,9H2,1H3/t14-/m1/s1
InChI key： RFWCCZDSXIZJMF-CQSZACIVSA-N
SMILES： COc1ccc2c(C[C@H]3NCCc4cc5OCOc5c2c34)c1
Systematic name  (3)：
  • (7aR)-6,7,7a,8-テトラヒドロ-10-メトキシ-5H-ベンゾ[g]-1,3-ベンゾジオキソロ[6,5,4-de]キノリン
  • (12R)-16-メトキシ-3,5-ジオキサ-11-アザペンタシクロ[10.7.1.02,6.08,20.014,19]イコサ-1(20),2(6),7,14,16,18-ヘキサエン
  • (12R)-16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene
Other name (3)：
  • キシロピン
  • Xylopine
  • (7aR)-6,7,7a,8-Tetrahydro-10-methoxy-5H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline
CAS registry number： 517-71-5
KEGG COMPOUND： C09670
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