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METHYL-N-(3-BETA,23-DIACETOXY-19-ALPHA-HYDROXY-URS-12-EN-28-OYL)-2-AMINO-3-(1H-INDOL-3-YL)-PROPIONATE
SpectraBase Compound ID 4MyqZZpsadD
InChI InChI=1S/C46H64N2O8/c1-27-16-21-46(40(52)48-34(39(51)54-9)24-30-25-47-33-13-11-10-12-31(30)33)23-22-43(6)32(38(46)45(27,8)53)14-15-36-41(4)19-18-37(56-29(3)50)42(5,26-55-28(2)49)35(41)17-20-44(36,43)7/h10-14,25,27,34-38,47,53H,15-24,26H2,1-9H3,(H,48,52)/t27-,34?,35-,36-,37+,38-,41+,42+,43-,44-,45-,46+/m1/s1
InChIKey QWZHOHNEVNFGHO-DFNOPVIESA-N
Mol Weight 773.0 g/mol
Molecular Formula C46H64N2O8
Exact Mass 772.466267 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DE0ByiEhkkT
Name METHYL-N-(3-BETA,23-DIACETOXY-19-ALPHA-HYDROXY-URS-12-EN-28-OYL)-2-AMINO-3-(1H-INDOL-3-YL)-PROPIONATE
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H64N2O8
InChI InChI=1S/C46H64N2O8/c1-27-16-21-46(40(52)48-34(39(51)54-9)24-30-25-47-33-13-11-10-12-31(30)33)23-22-43(6)32(38(46)45(27,8)53)14-15-36-41(4)19-18-37(56-29(3)50)42(5,26-55-28(2)49)35(41)17-20-44(36,43)7/h10-14,25,27,34-38,47,53H,15-24,26H2,1-9H3,(H,48,52)/t27-,34?,35-,36-,37+,38-,41+,42+,43-,44-,45-,46+/m1/s1
InChIKey QWZHOHNEVNFGHO-DFNOPVIESA-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 773.023 g/mol
Sample ID 73100
Solvent C5D5N