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5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthoquinone

View entire compound with spectra: 5 NMR, 1 FTIR, and 1 MS (GC)

5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthoquinone
SpectraBase Compound ID IsuKlNe5EWG
InChI InChI=1S/C18H18O6/c1-9(2)4-7-15(24-10(3)19)11-8-14(22)16-12(20)5-6-13(21)17(16)18(11)23/h4-6,8,15,20-21H,7H2,1-3H3
InChIKey WNFXUXZJJKTDOZ-UHFFFAOYSA-N
Mol Weight 330.34 g/mol
Molecular Formula C18H18O6
Exact Mass 330.110338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EZeObFpwa45
Name SHIKONIN-ACETATE;(+)-ACETIC-ACID-1-(5,8-DIHYDROXY-1,4-DIOXO-1,4-DIHYDRO-NAPHTHALEN-2-YL)-4-MEHTYL-PENT-3-ENYLESTER
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18O6
InChI InChI=1S/C18H18O6/c1-9(2)4-7-15(24-10(3)19)11-8-14(22)16-12(20)5-6-13(21)17(16)18(11)23/h4-6,8,15,20-21H,7H2,1-3H3
InChIKey WNFXUXZJJKTDOZ-UHFFFAOYSA-N
Literature Reference Author U.OEZGEN,M.COSKUN,C.KAZAZ,H.SECEN
Literature Reference Citation TURK.J.CHEM.,28,451(2004)
Molecular Weight 330.337 g/mol
Solvent CDCl3
Source File Reference UWLU5954