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(+)-LARICIRESINOL-9'-CAFFEINATE

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(+)-LARICIRESINOL-9'-CAFFEINATE
SpectraBase Compound ID DqOP5edjLGW
InChI InChI=1S/C29H30O9/c1-35-26-13-18(4-8-23(26)31)11-20-15-38-29(19-6-9-24(32)27(14-19)36-2)21(20)16-37-28(34)10-5-17-3-7-22(30)25(33)12-17/h3-10,12-14,20-21,29-33H,11,15-16H2,1-2H3/b10-5+/t20-,21-,29+/m1/s1
InChIKey LVXBWQNYQALGLB-FUCYCWKWSA-N
Mol Weight 522.55 g/mol
Molecular Formula C29H30O9
Exact Mass 522.188983 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9spoSsK4qZz
Name (+)-LARICIRESINOL-9'-CAFFEINATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H30O9
InChI InChI=1S/C29H30O9/c1-35-26-13-18(4-8-23(26)31)11-20-15-38-29(19-6-9-24(32)27(14-19)36-2)21(20)16-37-28(34)10-5-17-3-7-22(30)25(33)12-17/h3-10,12-14,20-21,29-33H,11,15-16H2,1-2H3/b10-5+/t20-,21-,29+/m1/s1
InChIKey LVXBWQNYQALGLB-FUCYCWKWSA-N
Literature Reference Author B.H.YANG,W.D.ZHANG,R.H.LIU,T.Z.LI,C.ZHANG,Y.ZHOU,J.SU
Literature Reference Citation J.NAT.PROD.,68,1175(2005)
Literature Reference DOI 10.1021/np058022s
Molecular Weight 522.552 g/mol
Solvent CD3OD
Source File Reference UWMZ12201