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(3-ACETOXY-OLEAN-12-EN-28-YL)-[4-(4'-FLUORO)-CINNAMAMIDO-PIPERAZIN-1-YL]-METHANONE
SpectraBase Compound ID 17xFBHt4Uzn
InChI InChI=1S/C45H63FN2O4/c1-30(49)52-37-18-19-42(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)48-27-25-47(26-28-48)38(50)16-11-31-9-12-32(46)13-10-31/h9-14,16,34-37H,15,17-29H2,1-8H3/b16-11+/t34-,35-,36+,37-,42-,43+,44+,45-/m0/s1
InChIKey MWCSWWJGZMZDKU-CNHXGURASA-N
Mol Weight 715.0 g/mol
Molecular Formula C45H63FN2O4
Exact Mass 714.477187 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L5p6zTl54Os
Name (3-ACETOXY-OLEAN-12-EN-28-YL)-[4-(4'-FLUORO)-CINNAMAMIDO-PIPERAZIN-1-YL]-METHANONE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H63FN2O4
InChI InChI=1S/C45H63FN2O4/c1-30(49)52-37-18-19-42(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)48-27-25-47(26-28-48)38(50)16-11-31-9-12-32(46)13-10-31/h9-14,16,34-37H,15,17-29H2,1-8H3/b16-11+/t34-,35-,36+,37-,42-,43+,44+,45-/m0/s1
InChIKey MWCSWWJGZMZDKU-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 715.005 g/mol
Source File Reference UWIR3497