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METHYL-N-(3-BETA,23-DIACETOXY-19-ALPHA-HYDROXY-URS-12-EN-28-OYL)-2-AMINO-3-PHENYL-PROPIONATE
SpectraBase Compound ID 4k3lLeLTroC
InChI InChI=1S/C44H63NO8/c1-27-17-22-44(38(49)45-32(37(48)51-9)25-30-13-11-10-12-14-30)24-23-41(6)31(36(44)43(27,8)50)15-16-34-39(4)20-19-35(53-29(3)47)40(5,26-52-28(2)46)33(39)18-21-42(34,41)7/h10-15,27,32-36,50H,16-26H2,1-9H3,(H,45,49)/t27-,32?,33-,34-,35+,36-,39+,40+,41-,42-,43-,44+/m1/s1
InChIKey QGNMYSRLADURFA-UWTJLLQWSA-N
Mol Weight 734.0 g/mol
Molecular Formula C44H63NO8
Exact Mass 733.455368 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4OH1g1yP3Pv
Name METHYL-N-(3-BETA,23-DIACETOXY-19-ALPHA-HYDROXY-URS-12-EN-28-OYL)-2-AMINO-3-PHENYL-PROPIONATE
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H63NO8
InChI InChI=1S/C44H63NO8/c1-27-17-22-44(38(49)45-32(37(48)51-9)25-30-13-11-10-12-14-30)24-23-41(6)31(36(44)43(27,8)50)15-16-34-39(4)20-19-35(53-29(3)47)40(5,26-52-28(2)46)33(39)18-21-42(34,41)7/h10-15,27,32-36,50H,16-26H2,1-9H3,(H,45,49)/t27-,32?,33-,34-,35+,36-,39+,40+,41-,42-,43-,44+/m1/s1
InChIKey QGNMYSRLADURFA-UWTJLLQWSA-N
Literature Reference Author Y.F.HE,M.L.NAN,J.M.SUN,Z.J.MENG,F.G.YUE,Q.C.ZHAO,X.H.YANG,H. WANG
Literature Reference Citation MOLECULES,17,1278(2012)
Literature Reference DOI 10.3390/molecules17021278
Molecular Weight 733.986 g/mol
Sample ID 73101
Solvent C5D5N