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Benthocyanin A

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Benthocyanin A
SpectraBase Compound ID 5B3qCicVVgt
InChI InChI=1S/C31H28N2O4/c1-19(2)9-7-10-20(3)15-16-33-25-14-8-13-22(30(34)35)29(25)32-24-18-27-23(17-26(24)33)28(31(36)37-27)21-11-5-4-6-12-21/h4-6,8-9,11-15,17-18H,7,10,16H2,1-3H3,(H,34,35)/b20-15+
InChIKey KRDKFSFTOURVBO-HMMYKYKNSA-N
Mol Weight 492.58 g/mol
Molecular Formula C31H28N2O4
Exact Mass 492.204907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FX3GPMVKTbP
Name Benthocyanin A
Comments 125 MHZ SPECTRUM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C31H28N2O4
InChI InChI=1S/C31H28N2O4/c1-19(2)9-7-10-20(3)15-16-33-25-14-8-13-22(30(34)35)29(25)32-24-18-27-23(17-26(24)33)28(31(36)37-27)21-11-5-4-6-12-21/h4-6,8-9,11-15,17-18H,7,10,16H2,1-3H3,(H,34,35)/b20-15+
InChIKey KRDKFSFTOURVBO-HMMYKYKNSA-N
Instrument Name see comment
Literature Reference K. Shin-Ya, K. Furihata, H. Seto, Tetrahedron Lett. 943 (1991).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3