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(3-HYDROXY-OLEAN-12-EN-28-YL)-[4-(4'-METHOXY)-CINNAMAMIDO-PIPERAZIN-1-YL]-METHANONE
SpectraBase Compound ID 20HEiYOuD0L
InChI InChI=1S/C44H64N2O4/c1-39(2)21-23-44(38(49)46-27-25-45(26-28-46)37(48)16-11-30-9-12-31(50-8)13-10-30)24-22-42(6)32(33(44)29-39)14-15-35-41(5)19-18-36(47)40(3,4)34(41)17-20-43(35,42)7/h9-14,16,33-36,47H,15,17-29H2,1-8H3/b16-11+/t33-,34-,35+,36-,41-,42+,43+,44-/m0/s1
InChIKey MPMKJSUIHQIYMR-HWZBIYHKSA-N
Mol Weight 685.0 g/mol
Molecular Formula C44H64N2O4
Exact Mass 684.486609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 71fZiKEgD8p
Name (3-HYDROXY-OLEAN-12-EN-28-YL)-[4-(4'-METHOXY)-CINNAMAMIDO-PIPERAZIN-1-YL]-METHANONE
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H64N2O4
InChI InChI=1S/C44H64N2O4/c1-39(2)21-23-44(38(49)46-27-25-45(26-28-46)37(48)16-11-30-9-12-31(50-8)13-10-30)24-22-42(6)32(33(44)29-39)14-15-35-41(5)19-18-36(47)40(3,4)34(41)17-20-43(35,42)7/h9-14,16,33-36,47H,15,17-29H2,1-8H3/b16-11+/t33-,34-,35+,36-,41-,42+,43+,44-/m0/s1
InChIKey MPMKJSUIHQIYMR-HWZBIYHKSA-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 685.003 g/mol
Source File Reference UWIR3500