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EMODIN_ACETATE;1,3,8-TRICETOXY-6-METHYLANTHRAQUINONE
SpectraBase Compound ID RaZZj6n2ac
InChI InChI=1S/C21H16O8/c1-9-5-14-18(16(6-9)28-11(3)23)21(26)19-15(20(14)25)7-13(27-10(2)22)8-17(19)29-12(4)24/h5-8H,1-4H3
InChIKey RVPRUQJQDGWKRY-UHFFFAOYSA-N
Mol Weight 396.35 g/mol
Molecular Formula C21H16O8
Exact Mass 396.084517 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F7HzDQ0cjcI
Name Triacetyl-emodin
CAS Registry Number 6030-60-0
Comments SHIFTS FOR 12 AND 14 FROM OTHER COMPOUNDS (SEE REF.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H16O8
InChI InChI=1S/C21H16O8/c1-9-5-14-18(16(6-9)28-11(3)23)21(26)19-15(20(14)25)7-13(27-10(2)22)8-17(19)29-12(4)24/h5-8H,1-4H3
InChIKey RVPRUQJQDGWKRY-UHFFFAOYSA-N
Instrument Name Bruker WM-250
Literature Reference H.W. Rauwald, Z. Naturforsch. 38C, 170 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6