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ARISTOLIC_ACID_I
SpectraBase Compound ID KryItmQVrMP
InChI InChI=1S/C17H12O5/c1-20-13-4-2-3-10-9(13)5-6-11-12(17(18)19)7-14-16(15(10)11)22-8-21-14/h2-7H,8H2,1H3,(H,18,19)
InChIKey WNMKOPJJPJHXJX-UHFFFAOYSA-N
Mol Weight 296.28 g/mol
Molecular Formula C17H12O5
Exact Mass 296.068473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jg4QgxJMSBQ
Name ARISTOLIC_ACID;3,4-METHYLENEDIOXY-8-METHOXY-1-PHENANTHRENECARBOXYLIC_ACID
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H12O5
InChI InChI=1S/C17H12O5/c1-20-13-4-2-3-10-9(13)5-6-11-12(17(18)19)7-14-16(15(10)11)22-8-21-14/h2-7H,8H2,1H3,(H,18,19)
InChIKey WNMKOPJJPJHXJX-UHFFFAOYSA-N
Literature Reference Author H.A.PRIESTAP,M.A.BARBIERI
Literature Reference Citation J.NAT.PROD.,76,965(2013)
Literature Reference DOI 10.1021/np300822b
Molecular Weight 296.279 g/mol
Sample ID 42541
Solvent DMSO-D6