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ACYRIARUBIN_E-6-O-SULFATE

View entire compound with spectra: 1 NMR

ACYRIARUBIN_E-6-O-SULFATE
SpectraBase Compound ID 2AQodRmyZRD
InChI InChI=1S/C20H13N3O6S/c24-19-17(13-8-21-15-4-2-1-3-11(13)15)18(20(25)23-19)14-9-22-16-7-10(5-6-12(14)16)29-30(26,27)28/h1-9,21-22H,(H,23,24,25)(H,26,27,28)
InChIKey NGBRFUYDUQHTFT-UHFFFAOYSA-N
Mol Weight 423.4 g/mol
Molecular Formula C20H13N3O6S
Exact Mass 423.052506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EfgWWmafW71
Name ACYRIARUBIN_E-6-O-SULFATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H13N3O6S
InChI InChI=1S/C20H13N3O6S/c24-19-17(13-8-21-15-4-2-1-3-11(13)15)18(20(25)23-19)14-9-22-16-7-10(5-6-12(14)16)29-30(26,27)28/h1-9,21-22H,(H,23,24,25)(H,26,27,28)
InChIKey NGBRFUYDUQHTFT-UHFFFAOYSA-N
Literature Reference Author K.KAMATA,T.SUETSUGU,Y.YAMAMOTO,M.HAYASHI,K.KOMIYAMA,M.ISHIBA SHI
Literature Reference Citation J.NAT.PROD.,69,1252(2006)
Literature Reference DOI 10.1021/np060269h
Molecular Weight 423.400 g/mol
Solvent ACETONE-D6
Source File Reference UWMZ15632