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[4-[(E)-3-OXO-3-PHENYLPROP-1-ENYL]-PHENYL]-3-OXO-OLEAN-1,12-DIEN-28-OATE
SpectraBase Compound ID KiFx8u09tkc
InChI InChI=1S/C45H54O4/c1-40(2)25-27-45(39(48)49-32-16-13-30(14-17-32)15-19-35(46)31-11-9-8-10-12-31)28-26-43(6)33(34(45)29-40)18-20-37-42(5)23-22-38(47)41(3,4)36(42)21-24-44(37,43)7/h8-19,22-23,34,36-37H,20-21,24-29H2,1-7H3/b19-15+/t34-,36-,37+,42-,43+,44+,45-/m0/s1
InChIKey SPCKHJYAOPVMKD-JUXBHRCCSA-N
Mol Weight 658.9 g/mol
Molecular Formula C45H54O4
Exact Mass 658.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8tFkXW5mNxn
Name [4-[(E)-3-OXO-3-PHENYLPROP-1-ENYL]-PHENYL]-3-OXO-OLEAN-1,12-DIEN-28-OATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H54O4
InChI InChI=1S/C45H54O4/c1-40(2)25-27-45(39(48)49-32-16-13-30(14-17-32)15-19-35(46)31-11-9-8-10-12-31)28-26-43(6)33(34(45)29-40)18-20-37-42(5)23-22-38(47)41(3,4)36(42)21-24-44(37,43)7/h8-19,22-23,34,36-37H,20-21,24-29H2,1-7H3/b19-15+/t34-,36-,37+,42-,43+,44+,45-/m0/s1
InChIKey SPCKHJYAOPVMKD-JUXBHRCCSA-N
Literature Reference Author C.TANG,L.ZHU,J.LI,R.QIN,C.LIU,Y.CHEN,G.YANG
Literature Reference Citation MAGN.RES.CHEM.,50,236(2012)
Literature Reference DOI 10.1002/mrc.2845
Molecular Weight 658.921 g/mol
Solvent CDCl3
Source File Reference UWBT16155