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KIRKININE
SpectraBase Compound ID 1wrAVODIixK
InChI InChI=1S/C38H56O10/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-35-46-32-28-31-34(22-39,45-31)33(42)36(43)27(21-24(4)29(36)41)38(28,48-35)25(5)30(44-26(6)40)37(32,47-35)23(2)3/h19-21,25,27-28,30-33,39,42-43H,2,7-18,22H2,1,3-6H3/b20-19+/t25-,27-,28+,30-,31+,32-,33-,34+,35+,36-,37+,38+/m1/s1
InChIKey MDZJGGUQWHZDTA-BNURUMJOSA-N
Mol Weight 672.9 g/mol
Molecular Formula C38H56O10
Exact Mass 672.387348 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JNEn3WAVtcp
Name KIRKININE
Compound Number 49
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H56O10
InChI InChI=1S/C38H56O10/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-35-46-32-28-31-34(22-39,45-31)33(42)36(43)27(21-24(4)29(36)41)38(28,48-35)25(5)30(44-26(6)40)37(32,47-35)23(2)3/h19-21,25,27-28,30-33,39,42-43H,2,7-18,22H2,1,3-6H3/b20-19+/t25-,27-,28+,30-,31+,32-,33-,34+,35+,36-,37+,38+/m1/s1
InChIKey MDZJGGUQWHZDTA-BNURUMJOSA-N
Literature Reference Author H.B.WANG,L.P.LIU,X.Y.WANG
Literature Reference Citation MAGN.RES.CHEM.,51,580(2013)
Literature Reference DOI 10.1002/mrc.3978
Molecular Weight 672.857 g/mol
Solvent CDCl3
Source File Reference UWIR13499