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(3S,1'R)-3-(1-HYDROXYETHYL)-6,8-DIHYDROXY-7-METHYL-3,4-DIHYDRO-ISOCOUMARIN
SpectraBase Compound ID EaAYOkuZ52b
InChI InChI=1S/C12H14O5/c1-5-8(14)3-7-4-9(6(2)13)17-12(16)10(7)11(5)15/h3,6,9,13-15H,4H2,1-2H3/t6-,9+/m1/s1
InChIKey QXXDPFSWPOEYTB-MUWHJKNJSA-N
Mol Weight 238.24 g/mol
Molecular Formula C12H14O5
Exact Mass 238.084124 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6LgMT8cJL4j
Name (3S,1'R)-3-(1-HYDROXYETHYL)-6,8-DIHYDROXY-7-METHYL-3,4-DIHYDRO-ISOCOUMARIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14O5
InChI InChI=1S/C12H14O5/c1-5-8(14)3-7-4-9(6(2)13)17-12(16)10(7)11(5)15/h3,6,9,13-15H,4H2,1-2H3/t6-,9+/m1/s1
InChIKey QXXDPFSWPOEYTB-MUWHJKNJSA-N
Literature Reference Author H.L.JIANG,X.H.LUO,X.Z.WANG,J.L.YANG,X.J.YAO,P.CREWS,F.A.VALE RIOTE,Q.X.WU
Literature Reference Citation FITOTERAPIA,83,1275(2012)
Literature Reference DOI 10.1016/j.fitote.2012.06.005
Molecular Weight 238.240 g/mol
Sample ID 72041
Solvent CD3OD