2-Formyl-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	9MAmFOi64w5
InChI	InChI=1S/C25H26F6N2O3/c1-22(35)13-32-23(17-5-3-2-4-6-17,21-11-33(15-34)10-20(21)22)14-36-12-16-7-18(24(26,27)28)9-19(8-16)25(29,30)31/h2-9,15,20-21,32,35H,10-14H2,1H3/t20-,21+,22-,23+/m0/s1
InChIKey	LBUCOOCPSURMJK-GSPCLOLRSA-N Google Search
Mol Weight	516.48 g/mol
Molecular Formula	C25H26F6N2O3
Exact Mass	516.184762 g/mol

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SpectraBase Spectrum ID	3bJQdxepQOm
Name	2-Formyl-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
Alternate Name(s)	(3aS,4S,7R,7aR)-4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-7-hydroxy-7-methyl-4-phenyl-octahydro-pyrrolo[3,4-c]pyridine-2-carbaldehyde (3aS,4S,7R,7aR)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-7-hydroxy-7-methyl-4-phenyl-1,3,3a,5,6,7a-hexahydropyrrolo[3,4-c]pyridine-2-carboxaldehyde (3aS,4S,7R,7aR)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-7-hydroxy-7-methyl-4-phenyl-1,3,3a,5,6,7a-hexahydropyrrolo[3,4-c]pyridine-2-carbaldehyde (3aS,4S,7R,7aR)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-7-methyl-7-oxidanyl-4-phenyl-1,3,3a,5,6,7a-hexahydropyrrolo[3,4-c]pyridine-2-carbaldehyde
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H26F6N2O3
InChI	InChI=1S/C25H26F6N2O3/c1-22(35)13-32-23(17-5-3-2-4-6-17,21-11-33(15-34)10-20(21)22)14-36-12-16-7-18(24(26,27)28)9-19(8-16)25(29,30)31/h2-9,15,20-21,32,35H,10-14H2,1H3/t20-,21+,22-,23+/m0/s1
InChIKey	LBUCOOCPSURMJK-GSPCLOLRSA-N
Molecular Weight	516.484 g/mol
SMILES	N1C[C@@]([C@@]2([C@]([C@]1(c1ccccc1)COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)(CN(C=O)C2)[H])[H])(O)C
SPLASH	splash10-0a4i-0090000000-01d3d4555a6cdbea7b3f
Source of Spectrum	F-56-6287-13
Wiley ID	858189