Chem
J-GLOBAL ID：201407015914508379   Nikkaji number：J3.296.443E

(8α,9S)-9-(2,4,6-Triisopropylbenzyloxy)cinchonan-6′-ol

(8α,9S)-9-(2,4,6-トリイソプロピルベンジルオキシ)シンコナン-6′-オール
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： C35H46N2O2
Molecular formula furigana： C35-H46-N2-O2
Molecular weight： 526.765
InChI： InChI=1S/C35H46N2O2/c1-8-24-19-37-14-12-25(24)17-34(37)35(28-11-13-36-33-10-9-27(38)18-31(28)33)39-20-32-29(22(4)5)15-26(21(2)3)16-30(32)23(6)7/h8-11,13,15-16,18,21-25,34-35,38H,1,12,14,17,19-20H2,2-7H3/t24-,25-,34-,35-/m0/s1
InChI key： TZBHRUAKRPIUFZ-WFJFNWOVSA-N
SMILES： CC(C)c1cc(C(C)C)c(CO[C@H]([C@@H]2C[C@@H]3CCN2C[C@@H]3C=C)c2ccnc3ccc(O)cc23)c(c1)C(C)C
Systematic name  (4)：
  • (8α,9S)-9-(2,4,6-トリイソプロピルベンジルオキシ)シンコナン-6′-オール
  • (8α,9S)-6′-ヒドロキシ-9-[(2,4,6-トリイソプロピルベンジル)オキシ]シンコナン
  • 4-[(S)-[(2S,4S,5R)-5-エテニル-1-アザビシクロ[2.2.2]オクタン-2-イル]({[2,4,6-トリス(プロパン-2-イル)フェニル]メトキシ})メチル]キノリン-6-オール
  • 4-[(S)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]({[2,4,6-tris(propan-2-yl)phenyl]methoxy})methyl]quinolin-6-ol
Other name (2)：
  • (8α,9S)-9-(2,4,6-Triisopropylbenzyloxy)cinchonan-6′-ol
  • (8α,9S)-6′-Hydroxy-9-[(2,4,6-triisopropylbenzyl)oxy]cinchonan
Thsaurus map：
Thesaurus Map

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