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CALODENIN B
SpectraBase Compound ID JJQBT92u1B3
InChI InChI=1S/C30H20O9/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/h1-14,31-33,35-37H/b12-3+
InChIKey OYSSHUWICGHBOU-KGVSQERTSA-N
Mol Weight 524.48 g/mol
Molecular Formula C30H20O9
Exact Mass 524.110732 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K6HMdUaHaj3
Name 3-(2,4-Dihydroxy-benzoyl)-2-(4-hydroxy-phenyl)-7-(4-hydroxy-cinnamoyl)-4,6-dihydroxy-benzofuran
CAS Registry Number 118045-66-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C30H20O9
InChI InChI=1S/C30H20O9/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/h1-14,31-33,35-37H/b12-3+
InChIKey OYSSHUWICGHBOU-KGVSQERTSA-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