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1,10-diformyl-3-hydroxy-6-keto-9-methoxy-4,7-dimethyl-benzo[c][1,5]benzodioxepine-2-carboxylic acid
SpectraBase Compound ID 1BDzisWL2Ey
InChI InChI=1S/C19H14O9/c1-7-4-11(26-3)9(5-20)16-12(7)19(25)28-15-8(2)14(22)13(18(23)24)10(6-21)17(15)27-16/h4-6,22H,1-3H3,(H,23,24)
InChIKey LRRJGRUEHSZJRI-UHFFFAOYSA-N
Mol Weight 386.31 g/mol
Molecular Formula C19H14O9
Exact Mass 386.063782 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3i4v6Vs33nl
Name 1,10-diformyl-3-hydroxy-6-keto-9-methoxy-4,7-dimethyl-benzo[c][1,5]benzodioxepine-2-carboxylic acid
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H14O9
InChI InChI=1S/C19H14O9/c1-7-4-11(26-3)9(5-20)16-12(7)19(25)28-15-8(2)14(22)13(18(23)24)10(6-21)17(15)27-16/h4-6,22H,1-3H3,(H,23,24)
InChIKey LRRJGRUEHSZJRI-UHFFFAOYSA-N
Literature Reference Author F.L.L.DEVEHAT,S.TOMASI,J.E.LIX,A.BERNARD,I.ROUAUD,P.URIAC,J. BOUSTIE
Literature Reference Citation J.NAT.PROD.,70,1218(2007)
Literature Reference DOI 10.1021/np070145k
Molecular Weight 386.315 g/mol
Sample ID 30680
Solvent DMSO-D6