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

View entire compound with spectra: 1 NMR

PURPURQUINONE_B;(1-S,7-R,8A-S)-1,8A-DIHYDROXY-7-METHYL-6,8-DIOXO-3-(E-PROP-1-ENYL)-6,7,8,8A-TETRAHYDRO-1-H-ISOCHROMEN-7-YL_2,4
SpectraBase Compound ID HF8kaV57rtp
InChI InChI=1S/C21H20O10/c1-4-5-11-6-10-7-14(24)20(3,18(27)21(10,29)19(28)30-11)31-17(26)15-9(2)16(25)13(23)8-12(15)22/h4-8,19,22-23,25,28-29H,1-3H3/b5-4+/t19-,20+,21+/m0/s1
InChIKey PLTDHXZQZPWZBC-QWOQCBQGSA-N
Mol Weight 432.38 g/mol
Molecular Formula C21H20O10
Exact Mass 432.105647 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1FmzK8T8KEZ
Name PURPURQUINONE_B;(1-S,7-R,8A-S)-1,8A-DIHYDROXY-7-METHYL-6,8-DIOXO-3-(E-PROP-1-ENYL)-6,7,8,8A-TETRAHYDRO-1-H-ISOCHROMEN-7-YL_2,4
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20O10
InChI InChI=1S/C21H20O10/c1-4-5-11-6-10-7-14(24)20(3,18(27)21(10,29)19(28)30-11)31-17(26)15-9(2)16(25)13(23)8-12(15)22/h4-8,19,22-23,25,28-29H,1-3H3/b5-4+/t19-,20+,21+/m0/s1
InChIKey PLTDHXZQZPWZBC-QWOQCBQGSA-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 432.384 g/mol
Sample ID 39290
Solvent DMSO-D6