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ISOSCHININ-ALLYLOL;7-[(6S)-HYDROXY-3,7-DIMETHYL-2,7-OCTADIENYL)-OXY-6-METHOXY-COUMARIN
SpectraBase Compound ID B561s9rG7JV
InChI InChI=1S/C20H24O5/c1-13(2)16(21)7-5-14(3)9-10-24-19-12-17-15(11-18(19)23-4)6-8-20(22)25-17/h6,8-9,11-12,16,21H,1,5,7,10H2,2-4H3/b14-9+/t16-/m0/s1
InChIKey XBYZRXVQYHWAFL-IDJPSDCMSA-N
Mol Weight 344.41 g/mol
Molecular Formula C20H24O5
Exact Mass 344.162374 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KYFQIMXt0gb
Name ISOSCHININ-ALLYLOL;7-[(6S)-HYDROXY-3,7-DIMETHYL-2,7-OCTADIENYL)-OXY-6-METHOXY-COUMARIN
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H24O5
InChI InChI=1S/C20H24O5/c1-13(2)16(21)7-5-14(3)9-10-24-19-12-17-15(11-18(19)23-4)6-8-20(22)25-17/h6,8-9,11-12,16,21H,1,5,7,10H2,2-4H3/b14-9+/t16-/m0/s1
InChIKey XBYZRXVQYHWAFL-IDJPSDCMSA-N
Literature Reference Author G.H.XU,J.A.KIM,S.Y.KIM,J.C.RYU,Y.S.KIM,S.H.JUNG,M.K.KIM,S.H. LEE
Literature Reference Citation CHEM.PHARM.BULL.,56,839(2008)
Literature Reference DOI 10.1248/cpb.56.839
Molecular Weight 344.408 g/mol
Sample ID 1804
Solvent CDCl3