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RHUSEMIALIN-A;LYONIRESINOL-9'-O-(E)-CAFFEOYLESTER
SpectraBase Compound ID CjBFJaaeoBz
InChI InChI=1S/C31H34O11/c1-38-23-12-18(13-24(39-2)29(23)36)27-20(15-42-26(35)8-6-16-5-7-21(33)22(34)9-16)19(14-32)10-17-11-25(40-3)30(37)31(41-4)28(17)27/h5-9,11-13,19-20,27,32-34,36-37H,10,14-15H2,1-4H3/b8-6+/t19-,20-,27+/m0/s1
InChIKey MFFDBMCFAFUUKG-PVXIIKDLSA-N
Mol Weight 582.6 g/mol
Molecular Formula C31H34O11
Exact Mass 582.210112 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1NhqpMasHM3
Name RHUSEMIALIN-A;LYONIRESINOL-9'-O-(E)-CAFFEOYLESTER
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H34O11
InChI InChI=1S/C31H34O11/c1-38-23-12-18(13-24(39-2)29(23)36)27-20(15-42-26(35)8-6-16-5-7-21(33)22(34)9-16)19(14-32)10-17-11-25(40-3)30(37)31(41-4)28(17)27/h5-9,11-13,19-20,27,32-34,36-37H,10,14-15H2,1-4H3/b8-6+/t19-,20-,27+/m0/s1
InChIKey MFFDBMCFAFUUKG-PVXIIKDLSA-N
Literature Reference Author M.A.OUYANG,Y.S.WEIN,R.K.SU,Y.H.KUO
Literature Reference Citation CHEM.PHARM.BULL.,55,804(2007)
Literature Reference DOI 10.1248/cpb.55.804
Molecular Weight 582.604 g/mol
Sample ID 55985
Solvent CD3OD