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TIEGUSANIN_F

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TIEGUSANIN_F
SpectraBase Compound ID 9MvK7743gJn
InChI InChI=1S/C39H38O11/c1-22-32(50-38(41)24-15-11-8-12-16-24)25-19-28-34(48-21-47-28)36(46-6)30(25)31-26(20-27(43-3)33(44-4)35(31)45-5)37(39(22,2)42)49-29(40)18-17-23-13-9-7-10-14-23/h7-20,22,32,37,42H,21H2,1-6H3/b18-17+/t22-,32+,37-,39-/m0/s1
InChIKey USCJUCNOMSERNX-HCFZQKDASA-N
Mol Weight 682.7 g/mol
Molecular Formula C39H38O11
Exact Mass 682.241412 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5j7Upk9MJwL
Name TIEGUSANIN_F
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H38O11
InChI InChI=1S/C39H38O11/c1-22-32(50-38(41)24-15-11-8-12-16-24)25-19-28-34(48-21-47-28)36(46-6)30(25)31-26(20-27(43-3)33(44-4)35(31)45-5)37(39(22,2)42)49-29(40)18-17-23-13-9-7-10-14-23/h7-20,22,32,37,42H,21H2,1-6H3/b18-17+/t22-,32+,37-,39-/m0/s1
InChIKey USCJUCNOMSERNX-HCFZQKDASA-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 682.724 g/mol
Sample ID 33053
Solvent CDCl3