Chem
J-GLOBAL ID：200907079972339321   Nikkaji number：J547.822G

Oblongine

オブロンギン
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： C19H24[N+]O3
Molecular formula furigana： C19-H24-N-O3
Molecular weight： 314.404
InChI： InChI=1S/C19H23NO3/c1-20(2)11-10-14-6-9-17(23-3)19(22)18(14)16(20)12-13-4-7-15(21)8-5-13/h4-9,16H,10-12H2,1-3H3,(H-,21,22)/p+1/t16-/m0/s1
InChI key： POJZOQWVMMYVBU-INIZCTEOSA-O
SMILES： COc1ccc2CC[N+](C)(C)[C@@H](Cc3ccc(O)cc3)c2c1O
Systematic name  (3)：
  • (1S)-1,2,3,4-テトラヒドロ-8-ヒドロキシ-1-[(4-ヒドロキシフェニル)メチル]-7-メトキシ-2,2-ジメチルイソキノリニウム
  • (1S)-8-ヒドロキシ-1-[(4-ヒドロキシフェニル)メチル]-7-メトキシ-2,2-ジメチル-1,2,3,4-テトラヒドロイソキノリン-2-イウム
  • (1S)-8-hydroxy-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium
Other name (5)：
  • オブロンギン
  • Oblongine
  • (+)-オブロンギン
  • (+)-Oblongine
  • (1S)-1,2,3,4-Tetrahydro-8-hydroxy-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethylisoquinolinium
CAS registry number： 60008-01-7
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