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3-O-ACETYL-7-O-METHYLPYRANONIGRIN_A;7-METHOXY-4,5-DIOXO-2-[(1-E)-PROP-1-ENYL]-4,5,6,7-TETRAHYDROPYRANO-[2.3-C]-PYRROL-3-YL-ACETATE
SpectraBase Compound ID 6NjEnjPEUss
InChI InChI=1S/C13H13NO6/c1-4-5-7-10(19-6(2)15)9(16)8-11(20-7)13(18-3)14-12(8)17/h4-5,13H,1-3H3,(H,14,17)/b5-4+
InChIKey ZDJRKTFZJSOPQH-SNAWJCMRSA-N
Mol Weight 279.25 g/mol
Molecular Formula C13H13NO6
Exact Mass 279.074287 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ElaUf6ClS7k
Name 3-O-ACETYL-7-O-METHYLPYRANONIGRIN_A;7-METHOXY-4,5-DIOXO-2-[(1-E)-PROP-1-ENYL]-4,5,6,7-TETRAHYDROPYRANO-[2.3-C]-PYRROL-3-YL-ACETATE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13NO6
InChI InChI=1S/C13H13NO6/c1-4-5-7-10(19-6(2)15)9(16)8-11(20-7)13(18-3)14-12(8)17/h4-5,13H,1-3H3,(H,14,17)/b5-4+
InChIKey ZDJRKTFZJSOPQH-SNAWJCMRSA-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 279.249 g/mol
Sample ID 30651
Solvent CDCl3