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(3-ACETOXY-OLEAN-12-EN-28-YL)-[4-(4'-NITRO)-CINNAMAMIDO-PIPERAZIN-1-YL]-METHANONE
SpectraBase Compound ID Fx853ahPYRH
InChI InChI=1S/C45H63N3O6/c1-30(49)54-37-18-19-42(6)35(41(37,4)5)17-20-44(8)36(42)15-14-33-34-29-40(2,3)21-23-45(34,24-22-43(33,44)7)39(51)47-27-25-46(26-28-47)38(50)16-11-31-9-12-32(13-10-31)48(52)53/h9-14,16,34-37H,15,17-29H2,1-8H3/b16-11+/t34-,35-,36+,37-,42-,43+,44+,45-/m0/s1
InChIKey FBOCZJKMFLCBOF-CNHXGURASA-N
Mol Weight 742.0 g/mol
Molecular Formula C45H63N3O6
Exact Mass 741.471687 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 48SWtu1cgXx
Name (3-ACETOXY-OLEAN-12-EN-28-YL)-[4-(4'-NITRO)-CINNAMAMIDO-PIPERAZIN-1-YL]-METHANONE
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H63N3O6
InChI InChI=1S/C45H63N3O6/c1-30(49)54-37-18-19-42(6)35(41(37,4)5)17-20-44(8)36(42)15-14-33-34-29-40(2,3)21-23-45(34,24-22-43(33,44)7)39(51)47-27-25-46(26-28-47)38(50)16-11-31-9-12-32(13-10-31)48(52)53/h9-14,16,34-37H,15,17-29H2,1-8H3/b16-11+/t34-,35-,36+,37-,42-,43+,44+,45-/m0/s1
InChIKey FBOCZJKMFLCBOF-CNHXGURASA-N
Literature Reference Author W.NIE,J.G.LUO,X.B.WANG,H.YIN,H.B.SUN,H.Q.YAO,L.Y.KONG
Literature Reference Citation CHEM.PHARM.BULL.,59,1051(2011)
Literature Reference DOI 10.1248/cpb.59.1051
Molecular Weight 742.012 g/mol
Source File Reference UWIR3507