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Bis-nor-robamegine

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

Bis-nor-robamegine
SpectraBase Compound ID 6v1hSPCRHvI
InChI InChI=1S/C34H34N2O6/c1-39-29-16-21-9-11-35-25-13-19-3-6-23(7-4-19)41-28-15-20(5-8-27(28)37)14-26-32-22(10-12-36-26)17-31(40-2)33(38)34(32)42-30(29)18-24(21)25/h3-8,15-18,25-26,35-38H,9-14H2,1-2H3
InChIKey XLTWCUYOTYAHOX-UHFFFAOYSA-N
Mol Weight 566.7 g/mol
Molecular Formula C34H34N2O6
Exact Mass 566.241687 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hlq1Ip1jIet
Name bis-nor-Robamegine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 566.241686817 u
Formula C34H34N2O6
InChI InChI=1S/C34H34N2O6/c1-39-29-16-21-9-11-35-25-13-19-3-6-23(7-4-19)41-28-15-20(5-8-27(28)37)14-26-32-22(10-12-36-26)17-31(40-2)33(38)34(32)42-30(29)18-24(21)25/h3-8,15-18,25-26,35-38H,9-14H2,1-2H3
InChIKey XLTWCUYOTYAHOX-UHFFFAOYSA-N
Molecular Weight 566.654 g/mol
SMILES C=12C=3C(NCCC3C=C(C1O)OC)CC=1C=C(OC3=CC=C(CC4C5=CC(O2)=C(C=C5CCN4)OC)C=C3)C(=CC1)O