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2,3-Secoreserpine

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2,3-Secoreserpine
SpectraBase Compound ID 4RR3g8eGVf1
InChI InChI=1S/C33H42N2O9/c1-38-22-7-8-23-20(13-22)17-34-25(23)10-12-35-11-9-24-21(18-35)16-28(31(42-5)29(24)33(37)43-6)44-32(36)19-14-26(39-2)30(41-4)27(15-19)40-3/h7-8,13-15,21,24,28-29,31H,9-12,16-18H2,1-6H3
InChIKey HGEDDZMXWXBKTG-UHFFFAOYSA-N
Mol Weight 610.7 g/mol
Molecular Formula C33H42N2O9
Exact Mass 610.289031 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IfmvpqyvEsv
Name 2,3-Secoreserpine
Comments LINES AT 119.30 AND 94.80 PPM ARE ELEMINATED - REASSIGNED A.H., STRUCTURE IS IN QUESTION
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C33H42N2O9
InChI InChI=1S/C33H42N2O9/c1-38-22-7-8-23-20(13-22)17-34-25(23)10-12-35-11-9-24-21(18-35)16-28(31(42-5)29(24)33(37)43-6)44-32(36)19-14-26(39-2)30(41-4)27(15-19)40-3/h7-8,13-15,21,24,28-29,31H,9-12,16-18H2,1-6H3
InChIKey HGEDDZMXWXBKTG-UHFFFAOYSA-N
Literature Reference S.F. Martin, H. Rueger, S.A. Williamson, J. Am. Chem. Soc. 109, 6124 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3