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[4-[(E)-3-(FURAN-2-YL)-ACRYLOYL]-PHENYL]-INDOLE-[3,2-B]-OLEAN-12-EN-28-OATE
SpectraBase Compound ID BM1pc2iusAr
InChI InChI=1S/C49H57NO4/c1-44(2)24-26-49(43(52)54-33-16-14-31(15-17-33)39(51)20-18-32-11-10-28-53-32)27-25-47(6)36(37(49)30-44)19-21-41-46(5)29-35-34-12-8-9-13-38(34)50-42(35)45(3,4)40(46)22-23-48(41,47)7/h8-20,28,37,40-41,50H,21-27,29-30H2,1-7H3/b20-18+/t37-,40-,41+,46-,47+,48+,49-/m0/s1
InChIKey LLNDLLQGBDKDGH-WLTWPYTLSA-N
Mol Weight 724.0 g/mol
Molecular Formula C49H57NO4
Exact Mass 723.428759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4HhpPkAgz1m
Name [4-[(E)-3-(FURAN-2-YL)-ACRYLOYL]-PHENYL]-INDOLE-[3,2-B]-OLEAN-12-EN-28-OATE
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H57NO4
InChI InChI=1S/C49H57NO4/c1-44(2)24-26-49(43(52)54-33-16-14-31(15-17-33)39(51)20-18-32-11-10-28-53-32)27-25-47(6)36(37(49)30-44)19-21-41-46(5)29-35-34-12-8-9-13-38(34)50-42(35)45(3,4)40(46)22-23-48(41,47)7/h8-20,28,37,40-41,50H,21-27,29-30H2,1-7H3/b20-18+/t37-,40-,41+,46-,47+,48+,49-/m0/s1
InChIKey LLNDLLQGBDKDGH-WLTWPYTLSA-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 723.996 g/mol
Solvent CDCl3
Source File Reference UWBT16154