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(+)-[2S,1'S,2'S]-N-(2'-hydroxy-1'-methyl-2'-phenylethyl)-N-methyl-4-(3,4-diimethoxyphenyl)-2-(3,4-methylenedioxyphenyl)butanamide

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

(+)-[2S,1'S,2'S]-N-(2'-hydroxy-1'-methyl-2'-phenylethyl)-N-methyl-4-(3,4-diimethoxyphenyl)-2-(3,4-methylenedioxyphenyl)butanamide
SpectraBase Compound ID DV0vcMiZGGA
InChI InChI=1S/C29H33NO6/c1-19(28(31)21-8-6-5-7-9-21)30(2)29(32)23(22-12-15-25-27(17-22)36-18-35-25)13-10-20-11-14-24(33-3)26(16-20)34-4/h5-9,11-12,14-17,19,23,28,31H,10,13,18H2,1-4H3/t19-,23+,28+/m1/s1
InChIKey BRTGZFJVDHYDDQ-LEBAXDHQSA-N
Mol Weight 491.6 g/mol
Molecular Formula C29H33NO6
Exact Mass 491.230788 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1uchV5ZMXFH
Name (+)-[2S,1'S,2'S]-N-(2'-hydroxy-1'-methyl-2'-phenylethyl)-N-methyl-4-(3,4-diimethoxyphenyl)-2-(3,4-methylenedioxyphenyl)butanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 491.230787781 u
Formula C29H33NO6
InChI InChI=1S/C29H33NO6/c1-19(28(31)21-8-6-5-7-9-21)30(2)29(32)23(22-12-15-25-27(17-22)36-18-35-25)13-10-20-11-14-24(33-3)26(16-20)34-4/h5-9,11-12,14-17,19,23,28,31H,10,13,18H2,1-4H3/t19-,23+,28+/m1/s1
InChIKey BRTGZFJVDHYDDQ-LEBAXDHQSA-N
Molecular Weight 491.584 g/mol
SMILES C(N([C@@]([C@@](C1=CC=CC=C1)(O)[H])(C)[H])C)([C@](C1=CC=2OCOC2C=C1)(CCC=1C=C(OC)C(=CC1)OC)[H])=O