John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=D6xD6xOZ6rj SpectraBase Spectrum ID=1Jszuivil9H

(accessed ).
REL-6-BETA-HYDROXYZUELANIN-2-BETA-BENZOATE;MAJOR_ISOMER
SpectraBase Compound ID D6xD6xOZ6rj
InChI InChI=1S/C31H38O8/c1-7-18(2)13-14-30(6)19(3)15-26(34)31-24(28(36-20(4)32)39-29(31)37-21(5)33)16-23(17-25(30)31)38-27(35)22-11-9-8-10-12-22/h7-13,16,19,23,25-26,28-29,34H,1,14-15,17H2,2-6H3/b18-13+/t19-,23+,25+,26+,28+,29+,30+,31-/m0/s1
InChIKey VTZWGFLNNUDMPY-JTMRXFPTSA-N
Mol Weight 538.6 g/mol
Molecular Formula C31H38O8
Exact Mass 538.256669 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Jszuivil9H
Name REL-6-BETA-HYDROXYZUELANIN-2-BETA-BENZOATE;MAJOR_ISOMER
Compound Number 3
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H38O8
InChI InChI=1S/C31H38O8/c1-7-18(2)13-14-30(6)19(3)15-26(34)31-24(28(36-20(4)32)39-29(31)37-21(5)33)16-23(17-25(30)31)38-27(35)22-11-9-8-10-12-22/h7-13,16,19,23,25-26,28-29,34H,1,14-15,17H2,2-6H3/b18-13+/t19-,23+,25+,26+,28+,29+,30+,31-/m0/s1
InChIKey VTZWGFLNNUDMPY-JTMRXFPTSA-N
Literature Reference Author G.M.V.JUNIOR,T.D.O.GONCALVES,L.O.REGASINI,P.M.P.FERREIRA,C.D .O.PESSOA,L.V.C.LOTU
Literature Reference Citation J.NAT.PROD.,72,1847(2009)
Literature Reference DOI 10.1021/np9004079
Molecular Weight 538.638 g/mol
Sample ID 33727
Solvent CDCl3
SpectraBase Batch ID 125ZJECJq0I