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Acetylshikonin

View entire compound with spectra: 2 NMR

Acetylshikonin
SpectraBase Compound ID 8Yc6LXU20Od
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/t15-/m1/s1
InChIKey WNFXUXZJJKTDOZ-OAHLLOKOSA-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 EW3NOqYcK7v
Name ACETYLSHIKONIN
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/t15-/m1/s1
InChIKey WNFXUXZJJKTDOZ-OAHLLOKOSA-N
Literature Reference Author N.KRETSCHMER,B.RINNER,A.J.A.DEUTSCH,B.LOHBERGER,H.KNAUSZ,O.K UNERT,M.BLUNDER,H.BO
Literature Reference Citation J.NAT.PROD.,75,865(2012)
Literature Reference DOI 10.1021/np2006499
Molecular Weight 330.337 g/mol
Sample ID 40386
Solvent CDCl3