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

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3,7-DI-O-ACETYLPYRANONIGRIN_A;(7-R)-4,5-DIOXO-2-[(1-E)-PROP-1-ENYL]-4,5,6,7-DIHYDROPYRANO-[2.3-C]-PYRROLE-3,7-DIYL_DIACETATE
SpectraBase Compound ID 3XwB0UEFuPE
InChI InChI=1S/C14H13NO7/c1-4-5-8-11(20-6(2)16)10(18)9-12(22-8)14(15-13(9)19)21-7(3)17/h4-5,14H,1-3H3,(H,15,19)/b5-4+/t14-/m1/s1
InChIKey CJMQMORNSOLULY-ISZGNANSSA-N
Mol Weight 307.26 g/mol
Molecular Formula C14H13NO7
Exact Mass 307.069202 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ld9eXARCvTJ
Name 3,7-DI-O-ACETYLPYRANONIGRIN_A;(7-R)-4,5-DIOXO-2-[(1-E)-PROP-1-ENYL]-4,5,6,7-DIHYDROPYRANO-[2.3-C]-PYRROLE-3,7-DIYL_DIACETATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H13NO7
InChI InChI=1S/C14H13NO7/c1-4-5-8-11(20-6(2)16)10(18)9-12(22-8)14(15-13(9)19)21-7(3)17/h4-5,14H,1-3H3,(H,15,19)/b5-4+/t14-/m1/s1
InChIKey CJMQMORNSOLULY-ISZGNANSSA-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 307.260 g/mol
Sample ID 30649
Solvent ACETONE-D6