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Acertannin

View entire compound with spectra: 1 NMR

Acertannin
SpectraBase Compound ID J272YKF5dLL
InChI InChI=1S/C20H20O13/c21-9-1-7(2-10(22)15(9)25)19(29)32-5-13-17(27)18(28)14(6-31-13)33-20(30)8-3-11(23)16(26)12(24)4-8/h1-4,13-14,17-18,21-28H,5-6H2
InChIKey IGKWMHUOBKCUQU-UHFFFAOYSA-N
Mol Weight 468.37 g/mol
Molecular Formula C20H20O13
Exact Mass 468.090391 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6apGH5zGJi9
Name Acertannin
CAS Registry Number 76746-56-0
Comments SOLVENT D2O/DMSO-D
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H20O13
InChI InChI=1S/C20H20O13/c21-9-1-7(2-10(22)15(9)25)19(29)32-5-13-17(27)18(28)14(6-31-13)33-20(30)8-3-11(23)16(26)12(24)4-8/h1-4,13-14,17-18,21-28H,5-6H2
InChIKey IGKWMHUOBKCUQU-UHFFFAOYSA-N
Literature Reference K. Bock, N. Lacour, Phytochem. 19, 2033 (1980).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany