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PURPURQUINONE_C;(7-R,8A-S)-8A-HYDROXY-7-METHYL-6,8-DIOXO-3-(E-PROP-1-ENYL)-6,7,8,8A-TETRAHYDRO-1-H-ISOCHROMEN-7-YL_2,4-DIHYDROXY-6-METHYLBENZOATE

View entire compound with spectra: 1 NMR

PURPURQUINONE_C;(7-R,8A-S)-8A-HYDROXY-7-METHYL-6,8-DIOXO-3-(E-PROP-1-ENYL)-6,7,8,8A-TETRAHYDRO-1-H-ISOCHROMEN-7-YL_2,4-DIHYDROXY-6-METHYLBENZOATE
SpectraBase Compound ID FSxUeJIPrBH
InChI InChI=1S/C21H20O8/c1-4-5-14-7-12-8-16(24)20(3,19(26)21(12,27)10-28-14)29-18(25)17-11(2)6-13(22)9-15(17)23/h4-9,22-23,27H,10H2,1-3H3/b5-4+/t20-,21-/m1/s1
InChIKey MZHBZSGFVGKNQP-QLAYCGNHSA-N
Mol Weight 400.38 g/mol
Molecular Formula C21H20O8
Exact Mass 400.115818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5kbHGowXLJE
Name PURPURQUINONE_C;(7-R,8A-S)-8A-HYDROXY-7-METHYL-6,8-DIOXO-3-(E-PROP-1-ENYL)-6,7,8,8A-TETRAHYDRO-1-H-ISOCHROMEN-7-YL_2,4-DIHYDROXY-6-METHYLBENZOATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20O8
InChI InChI=1S/C21H20O8/c1-4-5-14-7-12-8-16(24)20(3,19(26)21(12,27)10-28-14)29-18(25)17-11(2)6-13(22)9-15(17)23/h4-9,22-23,27H,10H2,1-3H3/b5-4+/t20-,21-/m1/s1
InChIKey MZHBZSGFVGKNQP-QLAYCGNHSA-N
Literature Reference Author H.WANG,MY.WANG,W.WANG,P.FU,P.LIU,W.ZHU
Literature Reference Citation J.NAT.PROD.,74,2014(2011)
Literature Reference DOI 10.1021/np2004769
Molecular Weight 400.385 g/mol
Sample ID 39291
Solvent DMSO-D6