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CYSTOQUINONE
SpectraBase Compound ID Aszn62XS02K
InChI InChI=1S/C27H34O4/c1-18(8-9-20-16-21(28)15-19(2)23(20)29)14-22-17-25(5)10-7-11-26(25,6)27(30-22)13-12-24(3,4)31-27/h8,12-13,15-17H,7,9-11,14H2,1-6H3/b18-8+/t25-,26-,27-/m1/s1
InChIKey VTNOKOSQUMVJHM-XPYXEQGGSA-N
Mol Weight 422.6 g/mol
Molecular Formula C27H34O4
Exact Mass 422.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4DXmQOTWZ6n
Name CYSTOQUINONE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H34O4
InChI InChI=1S/C27H34O4/c1-18(8-9-20-16-21(28)15-19(2)23(20)29)14-22-17-25(5)10-7-11-26(25,6)27(30-22)13-12-24(3,4)31-27/h8,12-13,15-17H,7,9-11,14H2,1-6H3/b18-8+/t25-,26-,27-/m1/s1
InChIKey VTNOKOSQUMVJHM-XPYXEQGGSA-N
Literature Reference Author R.VALLS,V.MESGUICHE,L.PIOVETTI,M.PROST,G.PEIFFER
Literature Reference Citation PHYTOCHEM.,41,1367(1996)
Literature Reference DOI 10.1016/0031-9422(95)00750-4
Molecular Weight 422.565 g/mol
Solvent CDCl3
Source File Reference UWLU4395