John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=FnA2f9mwMrz SpectraBase Spectrum ID=2bRPzoqeED9

(accessed ).
MURUCOIDIN-XIV
SpectraBase Compound ID FnA2f9mwMrz
InChI InChI=1S/C57H100O20/c1-9-12-14-15-16-17-20-23-27-31-39(58)72-50-45(64)55(69-36(7)48(50)75-54-44(63)43(62)47(35(6)68-54)74-53(66)33(4)11-3)76-49-37(8)70-56-46(65)51(49)73-40(59)32-28-24-21-18-19-22-26-30-38(29-25-13-10-2)71-57-52(77-56)42(61)41(60)34(5)67-57/h33-38,41-52,54-57,60-65H,9-32H2,1-8H3/t33-,34+,35-,36-,37-,38+,41-,42-,43-,44+,45+,46+,47-,48-,49-,50-,51-,52+,54-,55-,56-,57-/m0/s1
InChIKey HGWRMRQVIAZNKF-RFKWCNITSA-N
Mol Weight 1105.4 g/mol
Molecular Formula C57H100O20
Exact Mass 1104.680797 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2bRPzoqeED9
Name MURUCOIDIN-XIV
Compound Number 3
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C57H100O20
InChI InChI=1S/C57H100O20/c1-9-12-14-15-16-17-20-23-27-31-39(58)72-50-45(64)55(69-36(7)48(50)75-54-44(63)43(62)47(35(6)68-54)74-53(66)33(4)11-3)76-49-37(8)70-56-46(65)51(49)73-40(59)32-28-24-21-18-19-22-26-30-38(29-25-13-10-2)71-57-52(77-56)42(61)41(60)34(5)67-57/h33-38,41-52,54-57,60-65H,9-32H2,1-8H3/t33-,34+,35-,36-,37-,38+,41-,42-,43-,44+,45+,46+,47-,48-,49-,50-,51-,52+,54-,55-,56-,57-/m0/s1
InChIKey HGWRMRQVIAZNKF-RFKWCNITSA-N
Literature Reference Author L.CHERIGO,R.PEREDA-MIRANDA,S.GIBBONS
Literature Reference Citation PHYTOCHEM.,70,222(2009)
Literature Reference DOI 10.1016/j.phytochem.2008.12.005
Molecular Weight 1105.409 g/mol
Sample ID 63976
Solvent C5D5N
SpectraBase Batch ID HyVGtdJwiAk