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CASUARININ

View entire compound with spectra: 2 NMR

CASUARININ
SpectraBase Compound ID 3L0QKdomU3X
InChI InChI=1S/C41H28O26/c42-11-1-7(2-12(43)23(11)47)37(58)64-16-6-63-38(59)8-3-13(44)24(48)27(51)17(8)18-9(4-14(45)25(49)28(18)52)39(60)65-34(16)36-35-32(56)22-21(41(62)66-35)20(30(54)33(57)31(22)55)19-10(40(61)67-36)5-15(46)26(50)29(19)53/h1-5,16,32,34-36,42-57H,6H2/t16-,32+,34-,35-,36-/m0/s1
InChIKey MMQXBTULXAEKQE-NXROWURCSA-N
Mol Weight 936.6 g/mol
Molecular Formula C41H28O26
Exact Mass 936.086881 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BG8ahs1LO0V
Name CASUARININ
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H28O26
InChI InChI=1S/C41H28O26/c42-11-1-7(2-12(43)23(11)47)37(58)64-16-6-63-38(59)8-3-13(44)24(48)27(51)17(8)18-9(4-14(45)25(49)28(18)52)39(60)65-34(16)36-35-32(56)22-21(41(62)66-35)20(30(54)33(57)31(22)55)19-10(40(61)67-36)5-15(46)26(50)29(19)53/h1-5,16,32,34-36,42-57H,6H2/t16-,32+,34-,35-,36-/m0/s1
InChIKey MMQXBTULXAEKQE-NXROWURCSA-N
Literature Reference Author M.YOSHIMURA,H.ITO,K.MIYASHITA,T.HATANO,S.TANIGUCHI,Y.AMAKURA ,T.YOSHIDA
Literature Reference Citation PHYTOCHEM.,69,3062(2008)
Literature Reference DOI 10.1016/j.phytochem.2008.04.004
Molecular Weight 936.658 g/mol
Sample ID 63850
Solvent ACETONE-D6:D2O