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(1'-S)-HYDROXY-3',4'-DIDEHYDRO-STEMOFOLINE

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(1'-S)-HYDROXY-3',4'-DIDEHYDRO-STEMOFOLINE
SpectraBase Compound ID JKe0xIYppuw
InChI InChI=1S/C22H27NO6/c1-5-6-14(24)21-13-7-8-23(21)12-9-15(21)28-22(13)16(12)10(2)18(29-22)19-17(26-4)11(3)20(25)27-19/h5,10,12-16,24H,1,6-9H2,2-4H3/b19-18-/t10-,12+,13+,14-,15+,16+,21+,22+/m0/s1
InChIKey JSWHBVQUNCYCQO-AZEMULOHSA-N
Mol Weight 401.46 g/mol
Molecular Formula C22H27NO6
Exact Mass 401.183838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ANQVZI805nF
Name (1'-S)-HYDROXY-3',4'-DIDEHYDRO-STEMOFOLINE
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H27NO6
InChI InChI=1S/C22H27NO6/c1-5-6-14(24)21-13-7-8-23(21)12-9-15(21)28-22(13)16(12)10(2)18(29-22)19-17(26-4)11(3)20(25)27-19/h5,10,12-16,24H,1,6-9H2,2-4H3/b19-18-/t10-,12+,13+,14-,15+,16+,21+,22+/m0/s1
InChIKey JSWHBVQUNCYCQO-AZEMULOHSA-N
Literature Reference Author K.SASTRARUJI,T.SASTRARUJI,S.G.PYNE,A.T.UNG,A.JATISATIENR,W.L IE
Literature Reference Citation J.NAT.PROD.,73,935(2010)
Literature Reference DOI 10.1021/np100137h
Molecular Weight 401.459 g/mol
Sample ID 35572
Solvent CDCl3