METHYL-3-ALPHA,12-ALPHA-BIS-(PHENYLCARBAMOYLOXY)-7-ALPHA-[3-[4-(TRIFLUOROMETHYL)-PHENYL]-UREYLENE]-5-BETA-CHOLAN-24-OATE
Compound with spectra: 1 NMR
![METHYL-3-ALPHA,12-ALPHA-BIS-(PHENYLCARBAMOYLOXY)-7-ALPHA-[3-[4-(TRIFLUOROMETHYL)-PHENYL]-UREYLENE]-5-BETA-CHOLAN-24-OATE](/api/compound/8UYn620i6V.png?ph=true&h=300&w=458 "METHYL-3-ALPHA,12-ALPHA-BIS-(PHENYLCARBAMOYLOXY)-7-ALPHA-[3-[4-(TRIFLUOROMETHYL)-PHENYL]-UREYLENE]-5-BETA-CHOLAN-24-OATE")
| SpectraBase Compound ID | 8UYn620i6V |
|---|---|
| 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)53-32-13-9-6-10-14-32)45(2)24-23-34(60-43(57)52-31-11-7-5-8-12-31)25-30(45)26-38(41)54-42(56)51-33-18-16-29(17-19-33)47(48,49)50/h5-14,16-19,28,30,34-39,41H,15,20-27H2,1-4H3,(H,52,57)(H,53,58)(H2,51,54,56)/t28-,30+,34-,35-,36+,37+,38-,39+,41+,45+,46-/m1/s1 |
| InChIKey | PRARBDSYFSFRAB-ASSKOJDHSA-N |
| Mol Weight | 847.0 g/mol |
| Molecular Formula | C47H57F3N4O7 |
| Exact Mass | 846.417935 g/mol |
| Enantiomer InChIKey | PRARBDSYFSFRAB-REDAFDSDSA-N |
| Copyright | Copyright © 2016-2025 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 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
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