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QUADRANGULARIN-A

View entire compound with spectra: 2 NMR

QUADRANGULARIN-A
SpectraBase Compound ID 5cW9qfwLeuF
InChI InChI=1S/C28H22O6/c29-18-5-1-15(2-6-18)9-23-24-13-22(33)14-25(34)28(24)27(16-3-7-19(30)8-4-16)26(23)17-10-20(31)12-21(32)11-17/h1-14,26-27,29-34H/b23-9+/t26-,27+/m0/s1
InChIKey BIQMSWPBPAKGSE-ZLWOAGGHSA-N
Mol Weight 454.48 g/mol
Molecular Formula C28H22O6
Exact Mass 454.141638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FlKALkU42cs
Name QUADRANGULARIN-A
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H22O6
InChI InChI=1S/C28H22O6/c29-18-5-1-15(2-6-18)9-23-24-13-22(33)14-25(34)28(24)27(16-3-7-19(30)8-4-16)26(23)17-10-20(31)12-21(32)11-17/h1-14,26-27,29-34H/b23-9+/t26-,27+/m0/s1
InChIKey BIQMSWPBPAKGSE-ZLWOAGGHSA-N
Literature Reference Author S.A.ADESANYA,R.NIA,M.T.MARTIN,N.BOUKAMCHA,A.MONTAGNAC,M.PAIS
Literature Reference Citation J.NAT.PROD.,62,1694(1999)
Literature Reference DOI 10.1021/np9902744
Molecular Weight 454.479 g/mol
Solvent CD3OD
Source File Reference UWRU447