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(2R,3S,4S,5R,6S)-2-Butyl-6-methoxy-3-(4-methoxybenzyloxy)tetrahydropyran-4,5-diyl bis[(S)-.alpha.-methoxy-.alpha.-(trifluoromethyl)phenylacetate]

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(2R,3S,4S,5R,6S)-2-Butyl-6-methoxy-3-(4-methoxybenzyloxy)tetrahydropyran-4,5-diyl bis[(S)-.alpha.-methoxy-.alpha.-(trifluoromethyl)phenylacetate]
SpectraBase Compound ID Az7NFMS0X6O
InChI InChI=1S/C38H40F6O11/c1-7-22(2)27-28(52-31(45)23-18-20-26(48-3)21-19-23)29(54-33(46)35(50-5,37(39,40)41)24-14-10-8-11-15-24)30(32(49-4)53-27)55-34(47)36(51-6,38(42,43)44)25-16-12-9-13-17-25/h8-22,27-30,32H,7H2,1-6H3/t22?,27-,28-,29+,30+,32+,35+,36+/m1/s1
InChIKey XTIQPRFQZGPAEK-RSPWSYSMSA-N
Mol Weight 786.7 g/mol
Molecular Formula C38H40F6O11
Exact Mass 786.247481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ooHFrwVSYk
Name (2R,3S,4S,5R,6S)-2-Butyl-6-methoxy-3-(4-methoxybenzyloxy)tetrahydropyran-4,5-diyl bis[(S)-.alpha.-methoxy-.alpha.-(trifluoromethyl)phenylacetate]
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 786.247481075 u
Formula C38H40F6O11
InChI InChI=1S/C38H40F6O11/c1-7-22(2)27-28(52-31(45)23-18-20-26(48-3)21-19-23)29(54-33(46)35(50-5,37(39,40)41)24-14-10-8-11-15-24)30(32(49-4)53-27)55-34(47)36(51-6,38(42,43)44)25-16-12-9-13-17-25/h8-22,27-30,32H,7H2,1-6H3/t22?,27-,28-,29+,30+,32+,35+,36+/m1/s1
InChIKey XTIQPRFQZGPAEK-RSPWSYSMSA-N
Molecular Weight 786.717 g/mol
SMILES [C@@]1([C@](OC([C@](C(F)(F)F)(C2=CC=CC=C2)OC)=O)([C@@](OC)(O[C@@]([C@]1(OC(C1=CC=C(C=C1)OC)=O)[H])(C(CC)C)[H])[H])[H])(OC([C@](C(F)(F)F)(C1=CC=CC=C1)OC)=O)[H]