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10-Demethoxy-12-hydroxy-17,19-epoxygeissovelline
SpectraBase Compound ID 3aS52ImWdfg
InChI InChI=1S/C22H28N2O5/c1-12-22(29-12)14-7-9-23(3)10-8-21(20(22)27)15-5-6-16(28-4)19(26)18(15)24(13(2)25)17(21)11-14/h5-6,12,14,17,26H,7-11H2,1-4H3/t12-,14+,17+,21+,22+/m0/s1
InChIKey PCKNNBQTKQWZDD-FJAUPNPCSA-N
Mol Weight 400.48 g/mol
Molecular Formula C22H28N2O5
Exact Mass 400.199822 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1CW176dKUrK
Name 10-DEMETHOXY-12-HYDROXY-17,19-EPOXYGEISSOVELLINE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28N2O5
InChI InChI=1S/C22H28N2O5/c1-12-22(29-12)14-7-9-23(3)10-8-21(20(22)27)15-5-6-16(28-4)19(26)18(15)24(13(2)25)17(21)11-14/h5-6,12,14,17,26H,7-11H2,1-4H3/t12-,14+,17+,21+,22+/m0/s1
InChIKey PCKNNBQTKQWZDD-FJAUPNPCSA-N
Literature Reference Author M.REINA,W.RUIZ-MESIA,M.LOPEZ-RODRIGUEZ,L.RUIZ-MESIA,A.GONZAL EZ-COLOMA,R.MARTINEZ
Literature Reference Citation J.NAT.PROD.,75,928(2012)
Literature Reference DOI 10.1021/np300067m
Molecular Weight 400.475 g/mol
Sample ID 40423
Solvent CDCl3