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(E)-8-(6-HYDROPEROXY-3,7-DIMETHYLOCTA-2,7-DIENYLOXY)-PSORALEN
SpectraBase Compound ID BJxVglxAbZc
InChI InChI=1S/C21H22O6/c1-13(2)17(27-23)6-4-14(3)8-10-25-21-19-16(9-11-24-19)12-15-5-7-18(22)26-20(15)21/h5,7-9,11-12,17,23H,1,4,6,10H2,2-3H3/b14-8+/t17-/m1/s1
InChIKey ILYZUSHBLPOZIC-LEHPZIBWSA-N
Mol Weight 370.4 g/mol
Molecular Formula C21H22O6
Exact Mass 370.141638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IYvXqCPxtN5
Name (E)-8-(6-HYDROPEROXY-3,7-DIMETHYLOCTA-2,7-DIENYLOXY)-PSORALEN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O6
InChI InChI=1S/C21H22O6/c1-13(2)17(27-23)6-4-14(3)8-10-25-21-19-16(9-11-24-19)12-15-5-7-18(22)26-20(15)21/h5,7-9,11-12,17,23H,1,4,6,10H2,2-3H3/b14-8+/t17-/m1/s1
InChIKey ILYZUSHBLPOZIC-LEHPZIBWSA-N
Literature Reference Author M.A.RASHID,A.I.GRAY,P.G.WATERMAN,J.A.ARMSTRONG
Literature Reference Citation J.NAT.PROD.,55,851(1992)
Literature Reference DOI 10.1021/np50085a003
Molecular Weight 370.402 g/mol
Solvent CDCl3
Source File Reference UWCS5543