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Guattegaumerine

View entire compound with spectra: 1 NMR, and 2 MS (GC)

Guattegaumerine
SpectraBase Compound ID ChRxG1nDsR
InChI InChI=1S/C36H40N2O6/c1-37-13-11-24-18-34(42-3)32(40)20-27(24)29(37)15-22-5-8-26(9-6-22)44-36-17-23(7-10-31(36)39)16-30-28-21-33(41)35(43-4)19-25(28)12-14-38(30)2/h5-10,17-21,29-30,39-41H,11-16H2,1-4H3/t29-,30-/m1/s1
InChIKey FDABVSXGAMFQQH-LOYHVIPDSA-N
Mol Weight 596.7 g/mol
Molecular Formula C36H40N2O6
Exact Mass 596.288637 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID tXLBwMYEng
Name Guattegaumerine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 596.288637010 u
Formula C36H40N2O6
InChI InChI=1S/C36H40N2O6/c1-37-13-11-24-18-34(42-3)32(40)20-27(24)29(37)15-22-5-8-26(9-6-22)44-36-17-23(7-10-31(36)39)16-30-28-21-33(41)35(43-4)19-25(28)12-14-38(30)2/h5-10,17-21,29-30,39-41H,11-16H2,1-4H3/t29-,30-/m1/s1
InChIKey FDABVSXGAMFQQH-LOYHVIPDSA-N
Molecular Weight 596.724 g/mol
SMILES C1=2[C@](N(C)CCC2C=C(C(=C1)O)OC)(CC1=CC(OC2=CC=C(C[C@@]3(C4=C(C=C(C(=C4)O)OC)CCN3C)[H])C=C2)=C(C=C1)O)[H]