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(3R,4S,6R)-3,4,4A,5,6,7-HEXAHYDRO-4,8-DIHYDROXY-3-METHYL-1H-2-BENZOPYRAN-1-ONE
SpectraBase Compound ID Dg37410Ujgc
InChI InChI=1S/C10H14O4/c1-5-9(12)6-3-2-4-7(11)8(6)10(13)14-5/h5-6,9,11-12H,2-4H2,1H3/t5-,6-,9-/m1/s1
InChIKey DMSJNSRRGQBKJW-HCVRKRLWSA-N
Mol Weight 198.22 g/mol
Molecular Formula C10H14O4
Exact Mass 198.089209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BzEiiFSe6wG
Name (3R,4S,6R)-3,4,4A,5,6,7-HEXAHYDRO-4,8-DIHYDROXY-3-METHYL-1H-2-BENZOPYRAN-1-ONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H14O4
InChI InChI=1S/C10H14O4/c1-5-9(12)6-3-2-4-7(11)8(6)10(13)14-5/h5-6,9,11-12H,2-4H2,1H3/t5-,6-,9-/m1/s1
InChIKey DMSJNSRRGQBKJW-HCVRKRLWSA-N
Literature Reference Author J.A.FINDLAY,S.BUTHELEZI,R.LAVOIE,L.PENA-RODRIGUEZ,J.D.MILLER
Literature Reference Citation J.NAT.PROD.,58,1759(1995)
Literature Reference DOI 10.1021/np50125a021
Molecular Weight 198.219 g/mol
Solvent CDCl3
Source File Reference UWCS22675