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3-O-ACETYLPYRANONIGRIN_A;(7-R)-7-HYDROXY-4,5-DIOXO-2-[(1-E)-PROP-1-ENYL]-4,5,6,7-DIHYDROPYRANO-[2.3-C]-PYRROLE-3-YL_ACETATE

View entire compound with spectra: 1 NMR

3-O-ACETYLPYRANONIGRIN_A;(7-R)-7-HYDROXY-4,5-DIOXO-2-[(1-E)-PROP-1-ENYL]-4,5,6,7-DIHYDROPYRANO-[2.3-C]-PYRROLE-3-YL_ACETATE
SpectraBase Compound ID DNvpkHF1iU9
InChI InChI=1S/C12H11NO6/c1-3-4-6-9(18-5(2)14)8(15)7-10(19-6)12(17)13-11(7)16/h3-4,12,17H,1-2H3,(H,13,16)/b4-3+/t12-/m1/s1
InChIKey OBKNIMBGIFICJU-AAOUONPWSA-N
Mol Weight 265.22 g/mol
Molecular Formula C12H11NO6
Exact Mass 265.058637 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gs4AWvOTS9t
Name 3-O-ACETYLPYRANONIGRIN_A;(7-R)-7-HYDROXY-4,5-DIOXO-2-[(1-E)-PROP-1-ENYL]-4,5,6,7-DIHYDROPYRANO-[2.3-C]-PYRROLE-3-YL_ACETATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11NO6
InChI InChI=1S/C12H11NO6/c1-3-4-6-9(18-5(2)14)8(15)7-10(19-6)12(17)13-11(7)16/h3-4,12,17H,1-2H3,(H,13,16)/b4-3+/t12-/m1/s1
InChIKey OBKNIMBGIFICJU-AAOUONPWSA-N
Literature Reference Author G.SCHLINGMANN,T.TANIGUCHI,H.HE,R.BIGELIS,H.Y.YANG,F.E.KOEHN, G.T.CARTER,N.BEROVA
Literature Reference Citation J.NAT.PROD.,70,1180(2007)
Literature Reference DOI 10.1021/np070175n
Molecular Weight 265.222 g/mol
Sample ID 30648
Solvent ACETONE-D6