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Xenicin
SpectraBase Compound ID L722eo1fH3I
InChI InChI=1S/C28H38O9/c1-15(2)11-25(35-19(6)30)27(36-20(7)31)24-14-33-28(37-21(8)32)26-17(4)13-22(34-18(5)29)12-16(3)9-10-23(24)26/h11-12,14,22-23,25-28H,4,9-10,13H2,1-3,5-8H3/b16-12-
InChIKey JTACQGNVQPQYQN-VBKFSLOCSA-N
Mol Weight 518.6 g/mol
Molecular Formula C28H38O9
Exact Mass 518.251583 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gfq1AQhzduk
Name Xenicin
CAS Registry Number 64504-52-5
Comments broad-band decoupling (BB)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C28H38O9
InChI InChI=1S/C28H38O9/c1-15(2)11-25(35-19(6)30)27(36-20(7)31)24-14-33-28(37-21(8)32)26-17(4)13-22(34-18(5)29)12-16(3)9-10-23(24)26/h11-12,14,22-23,25-28H,4,9-10,13H2,1-3,5-8H3/b16-12-
InChIKey JTACQGNVQPQYQN-VBKFSLOCSA-N
Instrument Name SF = 090 MHz
Literature Reference J. Org. Chem. 45, 3814 (1980).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3