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4-(TRANS)-ACETYL-3,6,8-TRIHYDROXY-3-METHYL-DIHYDRO-NAPHTHALENONE
SpectraBase Compound ID 9cVSFejXX78
InChI InChI=1S/C13H14O5/c1-6(14)12-8-3-7(15)4-9(16)11(8)10(17)5-13(12,2)18/h3-4,12,15-16,18H,5H2,1-2H3/t12-,13-/m0/s1
InChIKey QDNOAZOXGLUUEB-STQMWFEESA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6b2WIKkTqBF
Name 4-(TRANS)-ACETYL-3,6,8-TRIHYDROXY-3-METHYL-DIHYDRO-NAPHTHALENONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-6(14)12-8-3-7(15)4-9(16)11(8)10(17)5-13(12,2)18/h3-4,12,15-16,18H,5H2,1-2H3/t12-,13-/m0/s1
InChIKey QDNOAZOXGLUUEB-STQMWFEESA-N
Literature Reference Author K.INGKANINAN,A.P.IJZERMAN,R.VERPOORTE
Literature Reference Citation J.NAT.PROD.,63,315(2000)
Literature Reference DOI 10.1021/np9904152
Molecular Weight 250.251 g/mol
Solvent CD3OD
Source File Reference UWRU1794