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BENTHOCYANIN-B

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BENTHOCYANIN-B
SpectraBase Compound ID Ko60mC9HOXv
InChI InChI=1S/C31H28N2O4/c1-19(2)10-9-11-20(3)16-17-33-24-15-8-7-14-23(24)32-28-25(33)18-22-26(21-12-5-4-6-13-21)31(36)37-29(22)27(28)30(34)35/h4-8,10,12-16,18H,9,11,17H2,1-3H3,(H,34,35)/b20-16+
InChIKey BHHZMNGABXTHMA-CAPFRKAQSA-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 7n7wAcPVjRS
Name BENTHOCYANIN-B
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H28N2O4
InChI InChI=1S/C31H28N2O4/c1-19(2)10-9-11-20(3)16-17-33-24-15-8-7-14-23(24)32-28-25(33)18-22-26(21-12-5-4-6-13-21)31(36)37-29(22)27(28)30(34)35/h4-8,10,12-16,18H,9,11,17H2,1-3H3,(H,34,35)/b20-16+
InChIKey BHHZMNGABXTHMA-CAPFRKAQSA-N
Literature Reference Author K.SHIN-YA,K.FURIHATA,Y.TESHIMA,Y.HAYAKAWA,H.SETO
Literature Reference Citation J.ORG.CHEM.,58,4170(1993)
Literature Reference DOI 10.1021/jo00067a069
Molecular Weight 492.574 g/mol
Solvent CDCl3
Source File Reference UWGE2049