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TIEGUSANIN_E

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TIEGUSANIN_E
SpectraBase Compound ID KEw3FpxNwwG
InChI InChI=1S/C36H42O11/c1-8-9-11-16-26(37)46-29-20(2)36(3,39)34(47-35(38)21-14-12-10-13-15-21)23-18-24(40-4)30(41-5)32(42-6)28(23)27-22(29)17-25-31(33(27)43-7)45-19-44-25/h10,12-15,17-18,20,29,34,39H,8-9,11,16,19H2,1-7H3/t20-,29+,34-,36-/m0/s1
InChIKey DQEHPZKNOFATMB-AXCPMRAESA-N
Mol Weight 650.7 g/mol
Molecular Formula C36H42O11
Exact Mass 650.272712 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Dxp0PyBrlj
Name TIEGUSANIN_E
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H42O11
InChI InChI=1S/C36H42O11/c1-8-9-11-16-26(37)46-29-20(2)36(3,39)34(47-35(38)21-14-12-10-13-15-21)23-18-24(40-4)30(41-5)32(42-6)28(23)27-22(29)17-25-31(33(27)43-7)45-19-44-25/h10,12-15,17-18,20,29,34,39H,8-9,11,16,19H2,1-7H3/t20-,29+,34-,36-/m0/s1
InChIKey DQEHPZKNOFATMB-AXCPMRAESA-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 650.723 g/mol
Sample ID 33052
Solvent CDCl3