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(3-ACETOXY-OLEAN-12-EN-28-YL)-[4-(4'-METHYLSULFONYL)-CINNAMAMIDO-PIPERAZIN-1-YL]-METHANONE
SpectraBase Compound ID CK1vQMiaQ4A
InChI InChI=1S/C46H66N2O6S/c1-31(49)54-38-19-20-43(6)36(42(38,4)5)18-21-45(8)37(43)16-15-34-35-30-41(2,3)22-24-46(35,25-23-44(34,45)7)40(51)48-28-26-47(27-29-48)39(50)17-12-32-10-13-33(14-11-32)55(9,52)53/h10-15,17,35-38H,16,18-30H2,1-9H3/b17-12+/t35-,36-,37+,38-,43-,44+,45+,46-/m0/s1
InChIKey KDMNIUMBDBPNMO-QSBLAZOKSA-N
Mol Weight 775.1 g/mol
Molecular Formula C46H66N2O6S
Exact Mass 774.464159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D8BB4AIvra7
Name (3-ACETOXY-OLEAN-12-EN-28-YL)-[4-(4'-METHYLSULFONYL)-CINNAMAMIDO-PIPERAZIN-1-YL]-METHANONE
Compound Number 10B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H66N2O6S
InChI InChI=1S/C46H66N2O6S/c1-31(49)54-38-19-20-43(6)36(42(38,4)5)18-21-45(8)37(43)16-15-34-35-30-41(2,3)22-24-46(35,25-23-44(34,45)7)40(51)48-28-26-47(27-29-48)39(50)17-12-32-10-13-33(14-11-32)55(9,52)53/h10-15,17,35-38H,16,18-30H2,1-9H3/b17-12+/t35-,36-,37+,38-,43-,44+,45+,46-/m0/s1
InChIKey KDMNIUMBDBPNMO-QSBLAZOKSA-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 775.100 g/mol
Source File Reference UWIR3505