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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 6bPUgRCkbKb
Name PARTHEONOCISSIN-A;1Z-2-ALPHA,3-BETA,2-(3,5-DIHYDROXYPHENYL)-2,3-DIHYDRO-3-(4-HYDROXYPHENYL)-1-[(4-HYDROXYPHENYL)-METHYLENE]-1H-INDENE-4,6-DIOL
Compound Number 1
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 T.TANAKA,M.IINUMA,H.MURATA
Literature Reference Citation PHYTOCHEM.,48,1045(1998)
Literature Reference DOI 10.1016/S0031-9422(98)00071-5
Molecular Weight 454.479 g/mol
Solvent ACETONE-D6
Source File Reference UWMS1338