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SARMENTOSUMINB;(2-S)-5,7-DIHYDROXY-6-(2'''-HYDROXY-5'''-(2''''-HYDROXY-5''''-(2'''''-HYDROXYBENZYL)-BENZYL)-BENZYL)-8-(2''-HYDROXYBENZYL)-
SpectraBase Compound ID AvHSxBPRmII
InChI InChI=1S/C43H36O8/c44-34-12-6-4-10-28(34)18-25-14-16-36(46)30(19-25)20-26-15-17-37(47)31(21-26)23-32-41(49)33(22-29-11-5-7-13-35(29)45)43-40(42(32)50)38(48)24-39(51-43)27-8-2-1-3-9-27/h1-17,19,21,39,44-47,49-50H,18,20,22-24H2/t39-/m0/s1
InChIKey JORUYFYWUGTBEB-KDXMTYKHSA-N
Mol Weight 680.8 g/mol
Molecular Formula C43H36O8
Exact Mass 680.241018 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KUF7OlJixsH
Name SARMENTOSUMINB;(2-S)-5,7-DIHYDROXY-6-(2'''-HYDROXY-5'''-(2''''-HYDROXY-5''''-(2'''''-HYDROXYBENZYL)-BENZYL)-BENZYL)-8-(2''-HYDROXYBENZYL)-
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H36O8
InChI InChI=1S/C43H36O8/c44-34-12-6-4-10-28(34)18-25-14-16-36(46)30(19-25)20-26-15-17-37(47)31(21-26)23-32-41(49)33(22-29-11-5-7-13-35(29)45)43-40(42(32)50)38(48)24-39(51-43)27-8-2-1-3-9-27/h1-17,19,21,39,44-47,49-50H,18,20,22-24H2/t39-/m0/s1
InChIKey JORUYFYWUGTBEB-KDXMTYKHSA-N
Literature Reference Author L.PAN,S.MATTHEW,D.D.LANTVIT,X.ZHANG,T.N.NINH,H.CHAI,E.J.C.DE BLANCO,D.D.SOEJARTO,
Literature Reference Citation J.NAT.PROD.,74,2193(2011)
Literature Reference DOI 10.1021/np200557e
Molecular Weight 680.754 g/mol
Sample ID 39422
Solvent CDCl3