| SpectraBase Compound ID | 5HsZqzy1niK |
|---|---|
| InChI | InChI=1S/C31H39F5N2O5.ClH/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);1H/t14-,15-,16+,17+,18+,19+,20+,30+,31+;/m1./s1 |
| InChIKey | VKHAHIQESZXMRQ-OPOCTNFKSA-N |
| Mol Weight | 651.12 g/mol |
| Molecular Formula | C31H40ClF5N2O5 |
| Exact Mass | 650.254591 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7JFZZVawjJT |
|---|---|
| Name | 17-ALPHA-(PENTAFLUOROBENZOYL)-AMINO-5-BETA-ANDROSTAN-3-ALPHA-YL-GLUTAMATE-HYDROCHLORIDE |
| Compound Number | 14B-HYDR OCHLORIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H40ClF5N2O5 |
| InChI | InChI=1S/C31H39F5N2O5.ClH/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);1H/t14-,15-,16+,17+,18+,19+,20+,30+,31+;/m1./s1 |
| InChIKey | VKHAHIQESZXMRQ-OPOCTNFKSA-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 | 651.114 g/mol |
| Sample ID | 70707 |
| Solvent | CDCl3 |