| SpectraBase Compound ID | 47GxzXcvlsM |
|---|---|
| InChI | InChI=1S/C31H39F5N2O5/c1-30-11-9-15(43-29(42)19(37)6-8-21(39)40)13-14(30)3-4-16-17-5-7-20(31(17,2)12-10-18(16)30)38-28(41)22-23(32)25(34)27(36)26(35)24(22)33/h14-20H,3-13,37H2,1-2H3,(H,38,41)(H,39,40)/t14-,15-,16+,17+,18+,19+,20+,30+,31+/m1/s1 |
| InChIKey | IJRKSLGSQPCDIQ-LAWYNKPISA-N |
| Mol Weight | 614.7 g/mol |
| Molecular Formula | C31H39F5N2O5 |
| Exact Mass | 614.277913 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 21e4FHysf7b |
|---|---|
| Name | 17-BETA-(PENTAFLUOROBENZOYL)-AMINO-5-BETA-ANDROSTAN-3-ALPHA-YL-GLUTAMATE |
| Compound Number | 14A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H39F5N2O5 |
| InChI | InChI=1S/C31H39F5N2O5/c1-30-11-9-15(43-29(42)19(37)6-8-21(39)40)13-14(30)3-4-16-17-5-7-20(31(17,2)12-10-18(16)30)38-28(41)22-23(32)25(34)27(36)26(35)24(22)33/h14-20H,3-13,37H2,1-2H3,(H,38,41)(H,39,40)/t14-,15-,16+,17+,18+,19+,20+,30+,31+/m1/s1 |
| InChIKey | IJRKSLGSQPCDIQ-LAWYNKPISA-N |
| Literature Reference Author | I.CERNY,M.BUDESINSKY,V.POUZAR,V.VYKLICKY,B.KRAUSOVA,L.VYKLIC KY |
| Literature Reference Citation | STEROIDS,77,1233(2012) |
| Literature Reference DOI | 10.1016/j.steroids.2012.07.004 |
| Molecular Weight | 614.653 g/mol |
| Sample ID | 70706 |
| Solvent | CDCl3:CD3OD=10:1 |