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6'-O-DESMETHYL_ES-242-2

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6'-O-DESMETHYL_ES-242-2
SpectraBase Compound ID 1XnicNAnZ9I
InChI InChI=1S/C35H36O12/c1-14-34(46-16(3)36)30-22(12-44-14)32(39)26-20(8-18(38)9-24(26)42-6)28(30)29-21-10-19(41-5)11-25(43-7)27(21)33(40)23-13-45-15(2)35(31(23)29)47-17(4)37/h8-11,14-15,34-35,38-40H,12-13H2,1-7H3/t14-,15+,34+,35-/m0/s1
InChIKey GEYHLUSXSLMSRF-ZFTFWZRDSA-N
Mol Weight 648.7 g/mol
Molecular Formula C35H36O12
Exact Mass 648.220677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ioomg34LGr6
Name 6'-O-DESMETHYL_ES-242-2
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H36O12
InChI InChI=1S/C35H36O12/c1-14-34(46-16(3)36)30-22(12-44-14)32(39)26-20(8-18(38)9-24(26)42-6)28(30)29-21-10-19(41-5)11-25(43-7)27(21)33(40)23-13-45-15(2)35(31(23)29)47-17(4)37/h8-11,14-15,34-35,38-40H,12-13H2,1-7H3/t14-,15+,34+,35-/m0/s1
InChIKey GEYHLUSXSLMSRF-ZFTFWZRDSA-N
Literature Reference Author M.ISAKA,U.SRISANOH,N.LARTPORNMATULEE,T.BOONRUANGPRAPA
Literature Reference Citation J.NAT.PROD.,70,1601(2007)
Literature Reference DOI 10.1021/np070357h
Molecular Weight 648.664 g/mol
Sample ID 31672
Solvent CDCl3