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[4-[(E)-3-(4-BROMOPHENYL)-ACRYLOYL]-PHENYL]-INDOLE-[3,2-B]-OLEAN-12-EN-28-OATE
SpectraBase Compound ID 9bIJ8voiUhD
InChI InChI=1S/C51H58BrNO3/c1-46(2)26-28-51(45(55)56-35-19-15-33(16-20-35)41(54)22-14-32-12-17-34(52)18-13-32)29-27-49(6)38(39(51)31-46)21-23-43-48(5)30-37-36-10-8-9-11-40(36)53-44(37)47(3,4)42(48)24-25-50(43,49)7/h8-22,39,42-43,53H,23-31H2,1-7H3/b22-14+/t39-,42-,43+,48-,49+,50+,51-/m0/s1
InChIKey ZFRUBYNFUQHNER-UCDQIVOKSA-N
Mol Weight 812.9 g/mol
Molecular Formula C51H58BrNO3
Exact Mass 811.360008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 483LrQGqhwQ
Name [4-[(E)-3-(4-BROMOPHENYL)-ACRYLOYL]-PHENYL]-INDOLE-[3,2-B]-OLEAN-12-EN-28-OATE
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H58BrNO3
InChI InChI=1S/C51H58BrNO3/c1-46(2)26-28-51(45(55)56-35-19-15-33(16-20-35)41(54)22-14-32-12-17-34(52)18-13-32)29-27-49(6)38(39(51)31-46)21-23-43-48(5)30-37-36-10-8-9-11-40(36)53-44(37)47(3,4)42(48)24-25-50(43,49)7/h8-22,39,42-43,53H,23-31H2,1-7H3/b22-14+/t39-,42-,43+,48-,49+,50+,51-/m0/s1
InChIKey ZFRUBYNFUQHNER-UCDQIVOKSA-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 812.930 g/mol
Solvent CDCl3
Source File Reference UWBT16153