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METHYL-3-ALPHA,7-ALPHA-BIS-[(PHENYLAMINOCARBONYL)-OXY]-12-ALPHA-AMINO-5-BETA-CHOLAN-24-OATE-TRIFLUOROACETATE

Compound with spectra: 1 NMR

METHYL-3-ALPHA,7-ALPHA-BIS-[(PHENYLAMINOCARBONYL)-OXY]-12-ALPHA-AMINO-5-BETA-CHOLAN-24-OATE-TRIFLUOROACETATE
SpectraBase Compound ID E8JZYtcQvmJ
InChI InChI=1S/C39H53N3O6.C2HF3O2/c1-24(15-18-34(43)46-4)29-16-17-30-35-31(23-33(40)39(29,30)3)38(2)20-19-28(47-36(44)41-26-11-7-5-8-12-26)21-25(38)22-32(35)48-37(45)42-27-13-9-6-10-14-27;3-2(4,5)1(6)7/h5-14,24-25,28-33,35H,15-23,40H2,1-4H3,(H,41,44)(H,42,45);(H,6,7)/t24-,25+,28-,29-,30+,31+,32-,33+,35+,38+,39-;/m1./s1
InChIKey FTARVYGYRHVUCK-LBKPPQEQSA-N
Mol Weight 773.9 g/mol
Molecular Formula C41H54F3N3O8
Exact Mass 773.3863 g/mol
Parent InChIKey PLZDNZIQBCCJJE-ATWCPSPMSA-N
Enantiomer InChIKey FTARVYGYRHVUCK-SSKAWJJSSA-N

View Spectrum of METHYL-3-ALPHA,7-ALPHA-BIS-[(PHENYLAMINOCARBONYL)-OXY]-12-ALPHA-AMINO-5-BETA-CHOLAN-24-OATE-TRIFLUOROACETATE

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Methyl ester of (3.alpha.,5.beta.,7.alpha.,12.alpha.)-12-hydroxy-3,7-bis(1-oxopropoxy)cholan-24-oic acid
Cholic acid, methyl ester, 3,7-diacetate
Methyl 3,7-bis(acetyloxy)-12-hydroxycholan-24-oate
Cholan-24-oic acid, 7,12-bis(acetyloxy)-3-hydroxy-, methyl ester, (3.alpha.,5.beta.,7.alpha.,12.alpha.)-
3A,7A-DIACETYLOXY-12A-HYDROXY-5B-CHOLAN-24-OATE
METHYL-3-ALPHA,7-ALPHA-ACETYLOXY-12-ALPHA-HYDROXY-5-BETA-CHOLAN-24-OATE
Methyl ester of cholic acid dinitrate
24-Norchol-22-ene-3,7,12-triol, triacetate, (3.alpha.,5.beta.,7.alpha.,12.alpha.)-
BIS-[(7,12-DIMETHOXY-23-METHOXYCARBONYL)-CHOLANYL-3-OXY]-N,N'-XYLYLENE-DICARBAMATE
Cholan-24-oic acid, 3,7,12-tris[(trimethylsilyl)oxy]-, methyl ester, (3.alpha.,5.alpha.,7.alpha.,12.alpha.)-
Title Journal or Book Year
Steroidal Ureas as Enantioselective Receptors for an N-Acetyl α-Amino Carboxylate Organic Letters 2002
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