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TIEGUSANIN_D

View entire compound with spectra: 1 NMR

TIEGUSANIN_D
SpectraBase Compound ID GQgOxKtYYcc
InChI InChI=1S/C37H36O11/c1-20-29(47-35(38)21-13-9-7-10-14-21)23-17-26-31(46-19-45-26)33(44-6)27(23)28-24(18-25(41-3)30(42-4)32(28)43-5)34(37(20,2)40)48-36(39)22-15-11-8-12-16-22/h7-18,20,29,34,40H,19H2,1-6H3/t20-,29+,34-,37-/m0/s1
InChIKey DJQXRCCEESJRPM-ZJIMTGPPSA-N
Mol Weight 656.7 g/mol
Molecular Formula C37H36O11
Exact Mass 656.225762 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jlsc8alP84d
Name TIEGUSANIN_D
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H36O11
InChI InChI=1S/C37H36O11/c1-20-29(47-35(38)21-13-9-7-10-14-21)23-17-26-31(46-19-45-26)33(44-6)27(23)28-24(18-25(41-3)30(42-4)32(28)43-5)34(37(20,2)40)48-36(39)22-15-11-8-12-16-22/h7-18,20,29,34,40H,19H2,1-6H3/t20-,29+,34-,37-/m0/s1
InChIKey DJQXRCCEESJRPM-ZJIMTGPPSA-N
Literature Reference Author X.N.LI,J.X.PU,X.DU,L.M.YANG,H.M.AN,C.LEI,F.HE,X.LUO,Y.T.ZHEN G,Y.LU,W.L.XIAO,H.D.
Literature Reference Citation J.NAT.PROD.,72,1133(2009)
Literature Reference DOI 10.1021/np900123z
Molecular Weight 656.686 g/mol
Sample ID 33051
Solvent CDCl3