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Secologanin tetraacetate

View entire compound with spectra: 9 NMR

Secologanin tetraacetate
SpectraBase Compound ID KONR4Q9xmcb
InChI InChI=1S/C25H32O14/c1-7-16-17(8-9-26)18(23(31)32-6)10-34-24(16)39-25-22(37-15(5)30)21(36-14(4)29)20(35-13(3)28)19(38-25)11-33-12(2)27/h7,9-10,16-17,19-22,24-25H,1,8,11H2,2-6H3
InChIKey XQVQOVDNWBXCHM-UHFFFAOYSA-N
Mol Weight 556.5 g/mol
Molecular Formula C25H32O14
Exact Mass 556.179206 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ICQkw3Sx3N2
Name Secologanin tetraacetate
CAS Registry Number 21237-36-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H32O14
InChI InChI=1S/C25H32O14/c1-7-16-17(8-9-26)18(23(31)32-6)10-34-24(16)39-25-22(37-15(5)30)21(36-14(4)29)20(35-13(3)28)19(38-25)11-33-12(2)27/h7,9-10,16-17,19-22,24-25H,1,8,11H2,2-6H3
InChIKey XQVQOVDNWBXCHM-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference K. Bock, S.R. Jensen, B.J. Nielsen, Acta Chem. Scand. B30, 743 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3