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4-HYDROXYBENZOIC-ACID-2,4-DIETHOXY-OCTAHYDRO-1A-(HYDROXYMETHYL)-OXIRENO-[4,5]-CYCLOPENTA-[1,2-C]-PYRAN-6-YL-ESTER;SPECIONIN

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4-HYDROXYBENZOIC-ACID-2,4-DIETHOXY-OCTAHYDRO-1A-(HYDROXYMETHYL)-OXIRENO-[4,5]-CYCLOPENTA-[1,2-C]-PYRAN-6-YL-ESTER;SPECIONIN
SpectraBase Compound ID OFBxw9r1tn
InChI InChI=1S/C20H26O8/c1-3-24-14-9-13-15(19(26-14)25-4-2)20(10-21)17(28-20)16(13)27-18(23)11-5-7-12(22)8-6-11/h5-8,13-17,19,21-22H,3-4,9-10H2,1-2H3
InChIKey MQCIJEYGQHWJFX-UHFFFAOYSA-N
Mol Weight 394.42 g/mol
Molecular Formula C20H26O8
Exact Mass 394.162768 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4mfJFp1dWxR
Name Specionin
Comments GN-500
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H26O8
InChI InChI=1S/C20H26O8/c1-3-24-14-9-13-15(19(26-14)25-4-2)20(10-21)17(28-20)16(13)27-18(23)11-5-7-12(22)8-6-11/h5-8,13-17,19,21-22H,3-4,9-10H2,1-2H3
InChIKey MQCIJEYGQHWJFX-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference J.K. Whitesell, D.E. Allen, J. Am. Chem. Soc. 110, 3585 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD3OD