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(3-S,4A-R,7-S)-7,8-DIHYDROXY-3-METHYL-3,4,10,5,6,7-HEXAHYDRO-1-H-ISOCHROMEN-1-ONE
SpectraBase Compound ID 5cIwcHiX5xw
InChI InChI=1S/C10H14O4/c1-5-4-6-2-3-7(11)9(12)8(6)10(13)14-5/h5-7,11-12H,2-4H2,1H3/t5-,6+,7-/m0/s1
InChIKey CYXDVBHWKYFDMV-XVMARJQXSA-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 CL0Le6Znkk9
Name (3-S,4A-R,7-S)-7,8-DIHYDROXY-3-METHYL-3,4,10,5,6,7-HEXAHYDRO-1-H-ISOCHROMEN-1-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H14O4
InChI InChI=1S/C10H14O4/c1-5-4-6-2-3-7(11)9(12)8(6)10(13)14-5/h5-7,11-12H,2-4H2,1H3/t5-,6+,7-/m0/s1
InChIKey CYXDVBHWKYFDMV-XVMARJQXSA-N
Literature Reference Author M.KUMAR,M.QADRI,P.R.SHARMA,A.KUMAR,S.S.ANDOTRA,T.KAUR,K.KAPO OR,V.K.GUPTA,R.KANT,
Literature Reference Citation J.NAT.PROD.,76,194(2013)
Literature Reference DOI 10.1021/np3006666
Molecular Weight 198.219 g/mol
Sample ID 42150
Solvent CDCl3