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(3AS,5R,9BS)-6,9-DIHYDROXY-5-METHYL-3,3A,5,9B-TETRAHYDRO-2H-FURO-[3,2-C]-ISOCHROMEN-2-ONE
SpectraBase Compound ID 7PsPQVBwDw8
InChI InChI=1S/C12H12O5/c1-5-10-6(13)2-3-7(14)11(10)12-8(16-5)4-9(15)17-12/h2-3,5,8,12-14H,4H2,1H3/t5-,8+,12-/m1/s1
InChIKey YGPXCWDPTGKUAC-XYZUUMPBSA-N
Mol Weight 236.22 g/mol
Molecular Formula C12H12O5
Exact Mass 236.068473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JqyHDHY3iFn
Name (3AS,5R,9BS)-6,9-DIHYDROXY-5-METHYL-3,3A,5,9B-TETRAHYDRO-2H-FURO-[3,2-C]-ISOCHROMEN-2-ONE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12O5
InChI InChI=1S/C12H12O5/c1-5-10-6(13)2-3-7(14)11(10)12-8(16-5)4-9(15)17-12/h2-3,5,8,12-14H,4H2,1H3/t5-,8+,12-/m1/s1
InChIKey YGPXCWDPTGKUAC-XYZUUMPBSA-N
Literature Reference Author R.BARTHOLOMAEUS,J.BACHAMANN,C.MANG,L.O.HAUSTEDT,K.HARMS,U.KO ERT
Literature Reference Citation EUR.J.ORG.CHEM.,2013,180(2013)
Literature Reference DOI 10.1002/ejoc.201201279
Molecular Weight 236.224 g/mol
Solvent CD3OD
Source File Reference UWBT17337