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Benthocyanin A

View entire compound with spectra: 3 NMR

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 K0F36eH6tRu
Name BENTHOCYANIN-A
Compound Number 3
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)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
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 UWGE2051