METHYL-3-ALPHA,12-ALPHA-DIHYDROXY-7-ALPHA-[3-[4-(TRIFLUOROMETHYL)-PHENYL]-UREYLENE]-5-BETA-CHOLAN-24-OATE
Compound with spectra: 1 NMR
![METHYL-3-ALPHA,12-ALPHA-DIHYDROXY-7-ALPHA-[3-[4-(TRIFLUOROMETHYL)-PHENYL]-UREYLENE]-5-BETA-CHOLAN-24-OATE](/api/compound/9rwDoHeRmhM.png?ph=true&h=300&w=458 "METHYL-3-ALPHA,12-ALPHA-DIHYDROXY-7-ALPHA-[3-[4-(TRIFLUOROMETHYL)-PHENYL]-UREYLENE]-5-BETA-CHOLAN-24-OATE")
| SpectraBase Compound ID | 9rwDoHeRmhM |
|---|---|
| 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(39)15-20(31)16-26(29)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 | OYLVRIVWLOVOFX-FUTHKPMZSA-N |
| Mol Weight | 608.7 g/mol |
| Molecular Formula | C33H47F3N2O5 |
| Exact Mass | 608.343707 g/mol |
| Enantiomer InChIKey | OYLVRIVWLOVOFX-CFEANVMSSA-N |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
METHYL-6-[(2-CARBOXYETHYL)-(3-ALPHA,7-ALPHA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLAN-24-OYL)-AMINO]-6-DEOXY-ALPHA-D-MANNOPYRANOSIDE
23-(Benzimidazol-2'-yl)-3.alpha.-[choloyl)oxy]norcholane-7.alpha.,12.alpha.-diol
ZXCYWPNJXFQNDV-HBDUHBFBSA-N
Methyl ester of (3.alpha.,5.beta.,7.alpha.,12.alpha.)-12-hydroxy-3,7-bis(1-oxopropoxy)cholan-24-oic acid
WBBQIRHMDDLCHH-QOKIAHHMSA-N
Cholic acid, 4tms
Cholic acid tetra(trimethylsilyl) ester
Cholan-24-oic acid, 3,7,12-tris[(trimethylsilyl)oxy]-, methyl ester, (3.alpha.,5.beta.,7.alpha.,12.alpha.)-
Cholan-24-oic acid, 3,7,12-tris[(trimethylsilyl)oxy]-, methyl ester, (3.alpha.,5.alpha.,7.alpha.,12.alpha.)-
(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,7,12-tris(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester
| 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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