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CALODENIN A
SpectraBase Compound ID btLiIINI1X
InChI InChI=1S/C30H22O9/c31-17-6-1-15(2-7-17)3-12-21(34)25-23(36)14-24(37)26-27(28(38)20-11-10-19(33)13-22(20)35)29(39-30(25)26)16-4-8-18(32)9-5-16/h1-2,4-11,13-14,31-33,35-37H,3,12H2
InChIKey NFPQQYQGNDMPGF-UHFFFAOYSA-N
Mol Weight 526.5 g/mol
Molecular Formula C30H22O9
Exact Mass 526.126382 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hn3OW3CZp5n
Name 3-(2,4-Dihydroxy-benzoyl)-2-(4-hydroxy-phenyl)-7-(3-[4-hydroxy-phenyl]-propionyl)-4,6-dihydroxy-benzofuran
CAS Registry Number 113201-66-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C30H22O9
InChI InChI=1S/C30H22O9/c31-17-6-1-15(2-7-17)3-12-21(34)25-23(36)14-24(37)26-27(28(38)20-11-10-19(33)13-22(20)35)29(39-30(25)26)16-4-8-18(32)9-5-16/h1-2,4-11,13-14,31-33,35-37H,3,12H2
InChIKey NFPQQYQGNDMPGF-UHFFFAOYSA-N
Instrument Name Varian FT-80
Literature Reference S.E. Drewes, N.A. Hudson, R.B.Bates, J. Chem. Soc. Perkin I 2809 (1987).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported