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(3-HYDROXY-OLEAN-12-EN-28-YL)-[4-(4'-METHYLSULFONYL)-CINNAMAMIDO-PIPERAZIN-1-YL]-METHANONE
SpectraBase Compound ID EzgfVginMeH
InChI InChI=1S/C44H64N2O5S/c1-39(2)21-23-44(38(49)46-27-25-45(26-28-46)37(48)16-11-30-9-12-31(13-10-30)52(8,50)51)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 UDXXKZBTWXTCCK-HWZBIYHKSA-N
Mol Weight 733.1 g/mol
Molecular Formula C44H64N2O5S
Exact Mass 732.453594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4F8C6NsUcK1
Name (3-HYDROXY-OLEAN-12-EN-28-YL)-[4-(4'-METHYLSULFONYL)-CINNAMAMIDO-PIPERAZIN-1-YL]-METHANONE
Compound Number 10A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H64N2O5S
InChI InChI=1S/C44H64N2O5S/c1-39(2)21-23-44(38(49)46-27-25-45(26-28-46)37(48)16-11-30-9-12-31(13-10-30)52(8,50)51)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 UDXXKZBTWXTCCK-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 733.063 g/mol
Source File Reference UWIR3506