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Oxayohimban-16-carboxylic acid, 11-methoxy-19-methyl-, methyl ester

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

Oxayohimban-16-carboxylic acid, 11-methoxy-19-methyl-, methyl ester
SpectraBase Compound ID 2QLylDSJ7ws
InChI InChI=1S/C22H28N2O4/c1-12-17-10-24-7-6-15-14-5-4-13(26-2)8-19(14)23-21(15)20(24)9-16(17)18(11-28-12)22(25)27-3/h4-5,8,12,16-18,20,23H,6-7,9-11H2,1-3H3
InChIKey MXHRBHXSJSGQKW-UHFFFAOYSA-N
Mol Weight 384.48 g/mol
Molecular Formula C22H28N2O4
Exact Mass 384.204907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID XtirntabrF
Name Oxayohimban-16-carboxylic acid, 11-methoxy-19-methyl-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.204907386 u
Formula C22H28N2O4
InChI InChI=1S/C22H28N2O4/c1-12-17-10-24-7-6-15-14-5-4-13(26-2)8-19(14)23-21(15)20(24)9-16(17)18(11-28-12)22(25)27-3/h4-5,8,12,16-18,20,23H,6-7,9-11H2,1-3H3
InChIKey MXHRBHXSJSGQKW-UHFFFAOYSA-N
Molecular Weight 384.476 g/mol
SMILES C(OC)(=O)C1C2CC3C4=C(C5=CC=C(C=C5N4)OC)CCN3CC2C(OC1)C