Chem
J-GLOBAL ID：200907098367055502   Nikkaji number：J38.517D

Alangicine

アランギシン
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： C28H36N2O5
Molecular formula furigana： C28-H36-N2-O5
Molecular weight： 480.605
InChI： InChI=1S/C28H36N2O5/c1-5-16-15-30-9-7-19-21(14-26(34-3)28(35-4)27(19)32)23(30)11-18(16)10-22-20-13-25(33-2)24(31)12-17(20)6-8-29-22/h12-14,16,18,23,31-32H,5-11,15H2,1-4H3/t16-,18-,23-/m0/s1
InChI key： RVJBPTBCDSPZDC-CEXJFXJFSA-N
SMILES： CC[C@H]1CN2CCc3c(O)c(OC)c(OC)cc3[C@@H]2C[C@@H]1CC1=NCCc2cc(O)c(OC)cc12
Systematic name  (3)：
  • 1′,2′-ジデヒドロ-7′,10,11-トリメトキシエメタン-6′,9-ジオール
  • 1-{[(2R,3R,11bS)-3-エチル-8-ヒドロキシ-9,10-ジメトキシ-1H,2H,3H,4H,6H,7H,11bH-ピリド[2,1-a]イソキノリン-2-イル]メチル}-7-メトキシ-3,4-ジヒドロイソキノリン-6-オール
  • 1-{[(2R,3R,11bS)-3-ethyl-8-hydroxy-9,10-dimethoxy-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-yl]methyl}-7-methoxy-3,4-dihydroisoquinolin-6-ol
Other name (3)：
  • アランギシン
  • Alangicine
  • 1′,2′-Didehydro-7′,10,11-trimethoxyemetan-6′,9-diol
CAS registry number： 16531-04-7
KEGG COMPOUND： C09327
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