Chem
J-GLOBAL ID：200907080525842960   Nikkaji number：J142.157C

Neobyakangelicin

ネオビアカンゲリシン
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： C17H16O6
Molecular formula furigana： C17-H16-O6
Molecular weight： 316.309
InChI： InChI=1S/C17H16O6/c1-9(2)12(18)8-22-17-15-11(6-7-21-15)14(20-3)10-4-5-13(19)23-16(10)17/h4-7,12,18H,1,8H2,2-3H3
InChI key： UBAMGTKSOKGECF-UHFFFAOYSA-N
SMILES： COc1c2ccoc2c(OCC(O)C(=C)C)c2oc(=O)ccc12
Systematic name  (1)：
  • (-)-9-(2-ヒドロキシ-3-メチル-3-ブテニルオキシ)-4-メトキシ-7H-フロ[3,2-g][1]ベンゾピラン-7-オン
Other name (5)：
  • Neobyakangelicol
  • ネオビアカンゲリコール
  • (-)-9-(2-Hydroxy-3-methyl-3-butenyloxy)-4-methoxy-7H-furo[3,2-g][1]benzopyran-7-one
  • ネオビアカンゲリシン
  • Neobyakangelicin
CAS registry number： 35214-82-5
KEGG COMPOUND： C17126
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