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(5R,7R)-Methyl-3-[(1R)-(1-naphthyl)ethyl]-1,2,3,4,5,6,7,8-octahydro-5-[2-xi.-(1,3-dioxolan-2-yl)-1-butyl]azonino[6,7b]indole-7-carboxylate

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

(5R,7R)-Methyl-3-[(1R)-(1-naphthyl)ethyl]-1,2,3,4,5,6,7,8-octahydro-5-[2-xi.-(1,3-dioxolan-2-yl)-1-butyl]azonino[6,7b]indole-7-carboxylate
SpectraBase Compound ID LT39YpWhVn6
InChI InChI=1S/C35H42N2O4/c1-4-25(35-40-18-19-41-35)20-24-21-31(34(38)39-3)33-30(29-13-7-8-15-32(29)36-33)16-17-37(22-24)23(2)27-14-9-11-26-10-5-6-12-28(26)27/h5-15,23-25,31,35-36H,4,16-22H2,1-3H3/t23-,24-,25?,31-/m1/s1
InChIKey HVUUNYDHCPPMSP-PGJABVETSA-N
Mol Weight 554.7 g/mol
Molecular Formula C35H42N2O4
Exact Mass 554.314458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ARqNIdtk416
Name (5R,7R)-Methyl-3-[(1R)-(1-naphthyl)ethyl]-1,2,3,4,5,6,7,8-octahydro-5-[2-xi.-(1,3-dioxolan-2-yl)-1-butyl]azonino[6,7B]indole-7-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 554.314457836 u
Formula C35H42N2O4
InChI InChI=1S/C35H42N2O4/c1-4-25(35-40-18-19-41-35)20-24-21-31(34(38)39-3)33-30(29-13-7-8-15-32(29)36-33)16-17-37(22-24)23(2)27-14-9-11-26-10-5-6-12-28(26)27/h5-15,23-25,31,35-36H,4,16-22H2,1-3H3/t23-,24-,25?,31-/m1/s1
InChIKey HVUUNYDHCPPMSP-PGJABVETSA-N
Molecular Weight 554.731 g/mol
SMILES C12=C(C3=CC=CC=C3N2)CCN([C@@](C=2C=3C(=CC=CC3)C=CC2)(C)[H])C[C@@](C[C@]1(C(=O)OC)[H])(CC(C1OCCO1)CC)[H]