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[4-[(E)-3-(4-NITROPHENYL)-ACRYLOYL]-PHENYL]-3-OXO-OLEAN-12-EN-28-OATE
SpectraBase Compound ID EOnpJV6tU8w
InChI InChI=1S/C45H55NO6/c1-40(2)24-26-45(39(49)52-32-15-11-30(12-16-32)35(47)18-10-29-8-13-31(14-9-29)46(50)51)27-25-43(6)33(34(45)28-40)17-19-37-42(5)22-21-38(48)41(3,4)36(42)20-23-44(37,43)7/h8-18,34,36-37H,19-28H2,1-7H3/b18-10+/t34-,36-,37+,42-,43+,44+,45-/m0/s1
InChIKey BOIFPWDPRUMVPT-QTCJTCFLSA-N
Mol Weight 705.9 g/mol
Molecular Formula C45H55NO6
Exact Mass 705.402938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F6ai3xfROe3
Name [4-[(E)-3-(4-NITROPHENYL)-ACRYLOYL]-PHENYL]-3-OXO-OLEAN-12-EN-28-OATE
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H55NO6
InChI InChI=1S/C45H55NO6/c1-40(2)24-26-45(39(49)52-32-15-11-30(12-16-32)35(47)18-10-29-8-13-31(14-9-29)46(50)51)27-25-43(6)33(34(45)28-40)17-19-37-42(5)22-21-38(48)41(3,4)36(42)20-23-44(37,43)7/h8-18,34,36-37H,19-28H2,1-7H3/b18-10+/t34-,36-,37+,42-,43+,44+,45-/m0/s1
InChIKey BOIFPWDPRUMVPT-QTCJTCFLSA-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 705.935 g/mol
Solvent CDCl3
Source File Reference UWBT16151