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2-Benzyl-4.alpha.-(hydroxymethyl)-7.beta.-methyl-4-.beta.-phenyl-3a.alpha.,7a.alpha.-octahydro-1H-pyrrolo[3,4-c]pyridin-7-.alpha.-ol
SpectraBase Compound ID AFOrefmBJDL
InChI InChI=1S/C22H28N2O2/c1-21(26)15-23-22(16-25,18-10-6-3-7-11-18)20-14-24(13-19(20)21)12-17-8-4-2-5-9-17/h2-11,19-20,23,25-26H,12-16H2,1H3/t19-,20+,21-,22-/m0/s1
InChIKey XVLCXCLUYNSWAA-LRSLUSHPSA-N
Mol Weight 352.48 g/mol
Molecular Formula C22H28N2O2
Exact Mass 352.215078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9RnFezBmtnp
Name 2-Benzyl-4.alpha.-(hydroxymethyl)-7.beta.-methyl-4-.beta.-phenyl-3a.alpha.,7a.alpha.-octahydro-1H-pyrrolo[3,4-c]pyridin-7-.alpha.-ol
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Formula C22H28N2O2
InChI InChI=1S/C22H28N2O2/c1-21(26)15-23-22(16-25,18-10-6-3-7-11-18)20-14-24(13-19(20)21)12-17-8-4-2-5-9-17/h2-11,19-20,23,25-26H,12-16H2,1H3/t19-,20+,21-,22-/m0/s1
InChIKey XVLCXCLUYNSWAA-LRSLUSHPSA-N
Molecular Weight 352.478 g/mol
SMILES N1C[C@@]([C@@]2([C@]([C@]1(CO)c1ccccc1)(CN(C2)Cc1ccccc1)[H])[H])(O)C
SPLASH splash10-00di-4009000000-01aeabcc5cd400dfdfc1
Source of Spectrum F-56-6286-9
Synonyms (3aS,4R,7R,7aR)-2-Benzyl-4-hydroxymethyl-7-methyl-4-phenyl-octahydro-pyrrolo[3,4-c]pyridin-7-ol
Wiley ID 858191