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TRIGOHOWNIN-A
SpectraBase Compound ID LTZfqKL95RG
InChI InChI=1S/C40H46O13/c1-20(2)37(46)31-22(4)38-28-19-21(3)30(47-23(5)41)39(28,49-25(7)43)35(45)36(8,52-34(44)26-15-11-9-12-16-26)32(48-24(6)42)29(38)33(37)51-40(50-31,53-38)27-17-13-10-14-18-27/h9-18,21-22,28-33,35,45-46H,1,19H2,2-8H3/t21-,22+,28-,29-,30-,31-,32-,33+,35+,36+,37-,38-,39+,40+/m0/s1
InChIKey CMGMKUFDWUSAQX-LBZCFDSCSA-N
Mol Weight 734.8 g/mol
Molecular Formula C40H46O13
Exact Mass 734.293842 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6TXX14I2ZED
Name TRIGOHOWNIN_A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H46O13
InChI InChI=1S/C40H46O13/c1-20(2)37(46)31-22(4)38-28-19-21(3)30(47-23(5)41)39(28,49-25(7)43)35(45)36(8,52-34(44)26-15-11-9-12-16-26)32(48-24(6)42)29(38)33(37)51-40(50-31,53-38)27-17-13-10-14-18-27/h9-18,21-22,28-33,35,45-46H,1,19H2,2-8H3/t21-,22+,28-,29-,30-,31-,32-,33+,35+,36+,37-,38-,39+,40+/m0/s1
InChIKey CMGMKUFDWUSAQX-LBZCFDSCSA-N
Literature Reference Author S.H.DONG,C.R.ZHANG,C.H.XU,J.DING,J.M.YUE
Literature Reference Citation J.NAT.PROD.,74,1255(2011)
Literature Reference DOI 10.1021/np200231u
Molecular Weight 734.797 g/mol
Sample ID 38321
Solvent CDCl3