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METHYL-7-ALPHA,12-ALPHA-BIS-(PHENYLCARBAMOYLOXY)-3-ALPHA-3-[4-(TRIFLUOROMETHYL)-PHENYL]-UREYLENE-5-BETA-CHOLAN-24-OATE

Compound with spectra: 1 NMR

METHYL-7-ALPHA,12-ALPHA-BIS-(PHENYLCARBAMOYLOXY)-3-ALPHA-3-[4-(TRIFLUOROMETHYL)-PHENYL]-UREYLENE-5-BETA-CHOLAN-24-OATE
SpectraBase Compound ID Dh4V6M20Grc
InChI InChI=1S/C47H57F3N4O7/c1-28(15-22-40(55)59-4)35-20-21-36-41-37(27-39(46(35,36)3)61-44(58)54-32-13-9-6-10-14-32)45(2)24-23-34(52-42(56)51-33-18-16-29(17-19-33)47(48,49)50)25-30(45)26-38(41)60-43(57)53-31-11-7-5-8-12-31/h5-14,16-19,28,30,34-39,41H,15,20-27H2,1-4H3,(H,53,57)(H,54,58)(H2,51,52,56)/t28-,30+,34-,35-,36+,37+,38-,39+,41+,45+,46-/m1/s1
InChIKey HJSOCTIDRZMMQD-ASSKOJDHSA-N
Mol Weight 847.0 g/mol
Molecular Formula C47H57F3N4O7
Exact Mass 846.417935 g/mol
Enantiomer InChIKey HJSOCTIDRZMMQD-REDAFDSDSA-N

View Spectrum of METHYL-7-ALPHA,12-ALPHA-BIS-(PHENYLCARBAMOYLOXY)-3-ALPHA-3-[4-(TRIFLUOROMETHYL)-PHENYL]-UREYLENE-5-BETA-CHOLAN-24-OATE

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Steroidal Ureas as Enantioselective Receptors for an N-Acetyl α-Amino Carboxylate Organic Letters 2002
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