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6-EPI-O-DEMETHYLESQUIROLIN_D
SpectraBase Compound ID LvGGnWXenew
InChI InChI=1S/C20H28O5/c1-9(2)10-8-11-12(14(22)13(10)21)20-7-5-6-19(3,4)17(20)15(23)16(11)25-18(20)24/h8-9,15-18,21-24H,5-7H2,1-4H3/t15-,16+,17-,18+,20-/m0/s1
InChIKey BIRAIVMEZFVLJK-VBRUWADQSA-N
Mol Weight 348.44 g/mol
Molecular Formula C20H28O5
Exact Mass 348.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ZJz2y4FfyD
Name 6-EPI-O-DEMETHYLESQUIROLIN_D
CAS Registry Number 165074-00-0
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O5
InChI InChI=1S/C20H28O5/c1-9(2)10-8-11-12(14(22)13(10)21)20-7-5-6-19(3,4)17(20)15(23)16(11)25-18(20)24/h8-9,15-18,21-24H,5-7H2,1-4H3/t15-,16+,17-,18+,20-/m0/s1
InChIKey BIRAIVMEZFVLJK-VBRUWADQSA-N
Literature Reference Author B.ESQUIVEL,M.FLORES,S.HERNANDEZ-ORTEGA,R.A.TOSCANO,T.P.RAMAM OORTHY
Literature Reference Citation PHYTOCHEM.,39,139(1995)
Literature Reference DOI 10.1016/0031-9422(94)00854-M
Molecular Weight 348.439 g/mol
Solvent CDCl3
Source File Reference UWMZ8361