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o,o-Dimethyl-pampulhamine

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

o,o-Dimethyl-pampulhamine
SpectraBase Compound ID LfLHmPcCj6U
InChI InChI=1S/C38H44N2O6/c1-40-16-14-27-21-35(43-4)37(45-6)23-30(27)32(40)18-25-9-12-33(41-2)38(19-25)46-28-10-7-24(8-11-28)17-31-29-22-36(44-5)34(42-3)20-26(29)13-15-39-31/h7-12,19-23,31-32,39H,13-18H2,1-6H3/t31-,32-/m1/s1
InChIKey IUALMDJBFWMRDF-ROJLCIKYSA-N
Mol Weight 624.8 g/mol
Molecular Formula C38H44N2O6
Exact Mass 624.319937 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3IMmywEta4U
Name o,o-Dimethyl-pampulhamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 624.319937139 u
Formula C38H44N2O6
InChI InChI=1S/C38H44N2O6/c1-40-16-14-27-21-35(43-4)37(45-6)23-30(27)32(40)18-25-9-12-33(41-2)38(19-25)46-28-10-7-24(8-11-28)17-31-29-22-36(44-5)34(42-3)20-26(29)13-15-39-31/h7-12,19-23,31-32,39H,13-18H2,1-6H3/t31-,32-/m1/s1
InChIKey IUALMDJBFWMRDF-ROJLCIKYSA-N
Molecular Weight 624.778 g/mol
SMILES C1=2[C@](N(C)CCC2C=C(C(=C1)OC)OC)(CC=1C=C(OC=2C=CC(C[C@@]3(C=4C=C(OC)C(=CC4CCN3)OC)[H])=CC2)C(=CC1)OC)[H]