METHYL-7-ALPHA,12-ALPHA-DIHYDROXY-3-ALPHA-[4-(TRIFLUOROMETHYL)-PHENYL]-UREYLENE-5-BETA-CHOLAN-24-OATE
Compound with spectra: 1 NMR
![METHYL-7-ALPHA,12-ALPHA-DIHYDROXY-3-ALPHA-[4-(TRIFLUOROMETHYL)-PHENYL]-UREYLENE-5-BETA-CHOLAN-24-OATE](/api/compound/5kAK3cuhiwR.png?ph=true&h=300&w=458 "METHYL-7-ALPHA,12-ALPHA-DIHYDROXY-3-ALPHA-[4-(TRIFLUOROMETHYL)-PHENYL]-UREYLENE-5-BETA-CHOLAN-24-OATE")
| SpectraBase Compound ID | 5kAK3cuhiwR |
|---|---|
| InChI | InChI=1S/C33H47F3N2O5/c1-18(5-12-28(41)43-4)23-10-11-24-29-25(17-27(40)32(23,24)3)31(2)14-13-22(15-20(31)16-26(29)39)38-30(42)37-21-8-6-19(7-9-21)33(34,35)36/h6-9,18,20,22-27,29,39-40H,5,10-17H2,1-4H3,(H2,37,38,42)/t18-,20+,22-,23-,24+,25+,26-,27+,29+,31+,32-/m1/s1 |
| InChIKey | YWMKHOIHHRNJGJ-FUTHKPMZSA-N |
| Mol Weight | 608.7 g/mol |
| Molecular Formula | C33H47F3N2O5 |
| Exact Mass | 608.343707 g/mol |
| Enantiomer InChIKey | YWMKHOIHHRNJGJ-CFEANVMSSA-N |
| 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.)-7,12-dihydroxy-3-(nitrooxy)cholan-24-oic acid
3A-ACETYLOXY-7A,12A-DIHYDROXY-5B-CHOLAN-24-OATE
METHYL-3-ALPHA-ACETYLOXY-7-ALPHA,12-ALPHA-HYDROXY-5-BETA-CHOLAN-24-OATE
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Cholan-24-oic acid, 7,12-dihydroxy-3-(1-oxopropoxy)-, methyl ester, (3.alpha.,5.beta.,7.alpha.,12.alpha.)-
Butyl 3.alpha.-acetoxy-7.alpha.,12.alpha.-dihydroxy-5.beta.-cholanate
Ethyl 3.alpha.-acetoxy-7.alpha.,12.alpha.-dihydroxy-5.beta.-cholanate
Propyl 3.alpha.-acetoxy-7.alpha.,12.alpha.-dihydroxy-5.beta.-cholanate
Methyl 3-carbethoxy-7.alpha.,12.alpha.-dihydroxy-5.beta.-cholan-24-oate
Cholan-24-oic acid, 3-[(ethoxycarbonyl)oxy]-7,12-dihydroxy-, methyl ester, (3.alpha.,5.beta.,7.alpha.,12.alpha.)-
| Title | Journal or Book | Year |
|---|---|---|
| Steroidal Ureas as Enantioselective Receptors for an N-Acetyl α-Amino Carboxylate | Organic Letters | 2002 |