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2-Benzyl-4.alpha.-({[3,5-bis(trifluoromethyl)benzyl]oxy}methyl)-7.beta.-methyl-4-.beta.-phenyl-3a.alpha.,7a.alpha.-octahydro-1H-pyrrolo[3,4-c]pyridin-7-.alpha.-ol
SpectraBase Compound ID 2CsX6KGUqE2
InChI InChI=1S/C31H32F6N2O2/c1-28(40)19-38-29(23-10-6-3-7-11-23,27-17-39(16-26(27)28)15-21-8-4-2-5-9-21)20-41-18-22-12-24(30(32,33)34)14-25(13-22)31(35,36)37/h2-14,26-27,38,40H,15-20H2,1H3/t26?,27?,28-,29+/m0/s1
InChIKey JOXCCFSAYVTGMC-IZBVHTJASA-N
Mol Weight 578.6 g/mol
Molecular Formula C31H32F6N2O2
Exact Mass 578.236797 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45lNDeYG3yL
Name 2-Benzyl-4.alpha.-({[3,5-bis(trifluoromethyl)benzyl]oxy}methyl)-7.beta.-methyl-4-.beta.-phenyl-3a.alpha.,7a.alpha.-octahydro-1H-pyrrolo[3,4-c]pyridin-7-.alpha.-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H32F6N2O2
InChI InChI=1S/C31H32F6N2O2/c1-28(40)19-38-29(23-10-6-3-7-11-23,27-17-39(16-26(27)28)15-21-8-4-2-5-9-21)20-41-18-22-12-24(30(32,33)34)14-25(13-22)31(35,36)37/h2-14,26-27,38,40H,15-20H2,1H3/t26?,27?,28-,29+/m0/s1
InChIKey JOXCCFSAYVTGMC-IZBVHTJASA-N
Molecular Weight 578.599 g/mol
SMILES N1C[C@@](C2C([C@]1(c1ccccc1)COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CN(Cc1ccccc1)C2)(O)C
SPLASH splash10-00di-0009000000-801bb1ef3ae999093f22
Source of Spectrum F-56-6288-16
Synonyms (4S,7R)-2-Benzyl-4-(3,5-bis-trifluoromethyl-benzyloxymethyl)-7-methyl-4-phenyl-octahydro-pyrrolo[3,4-c]pyridin-7-ol
Wiley ID 858187