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2-[[(1S,12bS)-1-ethyl-3,4,6,7,12,12b-hexahydro-2H-indolo[2,3-a]quinolizin-1-yl]methyl]-2-(hydroxymethyl)propanedioic acid diethyl ester

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

2-[[(1S,12bS)-1-ethyl-3,4,6,7,12,12b-hexahydro-2H-indolo[2,3-a]quinolizin-1-yl]methyl]-2-(hydroxymethyl)propanedioic acid diethyl ester
SpectraBase Compound ID 1zGFAEW6XmE
InChI InChI=1S/C26H36N2O5/c1-4-25(16-26(17-29,23(30)32-5-2)24(31)33-6-3)13-9-14-28-15-12-19-18-10-7-8-11-20(18)27-21(19)22(25)28/h7-8,10-11,22,27,29H,4-6,9,12-17H2,1-3H3/t22-,25+/m1/s1
InChIKey ZULKAZQQNIINIS-RDGATRHJSA-N
Mol Weight 456.6 g/mol
Molecular Formula C26H36N2O5
Exact Mass 456.262422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 83LtiYwSLny
Name 2-[[(1S,12BS)-1-ethyl-3,4,6,7,12,12B-hexahydro-2H-indolo[2,3-A]quinolizin-1-yl]methyl]-2-(hydroxymethyl)propanedioic acid diethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.262422262 u
Formula C26H36N2O5
InChI InChI=1S/C26H36N2O5/c1-4-25(16-26(17-29,23(30)32-5-2)24(31)33-6-3)13-9-14-28-15-12-19-18-10-7-8-11-20(18)27-21(19)22(25)28/h7-8,10-11,22,27,29H,4-6,9,12-17H2,1-3H3/t22-,25+/m1/s1
InChIKey ZULKAZQQNIINIS-RDGATRHJSA-N
Molecular Weight 456.583 g/mol
SMILES C12=C(C=3C=CC=CC3N2)CCN2[C@]1([C@](CC(C(=O)OCC)(C(=O)OCC)CO)(CCC2)CC)[H]