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TIEGUSANIN_G

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TIEGUSANIN_G
SpectraBase Compound ID 2TXPoVAbb1Q
InChI InChI=1S/C37H40O11/c1-9-20(2)36(39)48-35-24-18-25(41-5)31(42-6)33(43-7)29(24)28-23(17-26-32(34(28)44-8)46-19-45-26)30(21(3)37(35,4)40)47-27(38)16-15-22-13-11-10-12-14-22/h9-18,21,30,35,40H,19H2,1-8H3/b16-15+,20-9-/t21-,30+,35-,37-/m0/s1
InChIKey SXBFZXGHYJARIG-GHSHVXGZSA-N
Mol Weight 660.7 g/mol
Molecular Formula C37H40O11
Exact Mass 660.257062 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KFTxhVPFl2t
Name TIEGUSANIN_G
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H40O11
InChI InChI=1S/C37H40O11/c1-9-20(2)36(39)48-35-24-18-25(41-5)31(42-6)33(43-7)29(24)28-23(17-26-32(34(28)44-8)46-19-45-26)30(21(3)37(35,4)40)47-27(38)16-15-22-13-11-10-12-14-22/h9-18,21,30,35,40H,19H2,1-8H3/b16-15+,20-9-/t21-,30+,35-,37-/m0/s1
InChIKey SXBFZXGHYJARIG-GHSHVXGZSA-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 660.718 g/mol
Sample ID 33054
Solvent CDCl3