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LJIDRFNRDLYHNC-UHFFFAOYSA-N
SpectraBase Compound ID FzXf9ojQGfN
InChI InChI=1S/C12H13NO3/c14-10-5-7-3-4-13-9(1-2-12(13)16)8(7)6-11(10)15/h5-6,9,14-15H,1-4H2
InChIKey LJIDRFNRDLYHNC-UHFFFAOYSA-N
Mol Weight 219.24 g/mol
Molecular Formula C12H13NO3
Exact Mass 219.089543 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7sREmXCGFH4
Name OLERACEIN_E;8,9-DIHYDROXY-1,5,6,10B-TETRAHYDRO-2-H-PYRROLO-[2.1-A]-ISOQUINOLIN-3-ONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c14-10-5-7-3-4-13-9(1-2-12(13)16)8(7)6-11(10)15/h5-6,9,14-15H,1-4H2
InChIKey LJIDRFNRDLYHNC-UHFFFAOYSA-N
Literature Reference Author L.XIANG,D.XING,W.WANG,R.WANG,Y.DING,L.DU
Literature Reference Citation PHYTOCHEM.,66,2595(2005)
Literature Reference DOI 10.1016/j.phytochem.2005.08.011
Molecular Weight 219.240 g/mol
Solvent DMSO-D6
Source File Reference UWMZ19752