| SpectraBase Compound ID | IJZR6xaCoLI |
|---|---|
| InChI | InChI=1S/C33H40F5NO6/c1-15(40)19-6-7-20-18-5-4-16-14-17(10-12-32(16,2)21(18)11-13-33(19,20)3)45-31(44)22(8-9-23(41)42)39-30(43)24-25(34)27(36)29(38)28(37)26(24)35/h16-22H,4-14H2,1-3H3,(H,39,43)(H,41,42)/t16-,17-,18+,19-,20+,21+,22+,32+,33-/m1/s1 |
| InChIKey | GZMRFNSKGLAGPW-OCNBHKEMSA-N |
| Mol Weight | 641.7 g/mol |
| Molecular Formula | C33H40F5NO6 |
| Exact Mass | 641.277579 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Vxtpq4XhxY |
|---|---|
| Name | 20-OXO-5-BETA-PREGNAN-3-ALPHA-YL-N-(PENTAFLUOROBENZOYL)-L-GLUTAMATE |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H40F5NO6 |
| InChI | InChI=1S/C33H40F5NO6/c1-15(40)19-6-7-20-18-5-4-16-14-17(10-12-32(16,2)21(18)11-13-33(19,20)3)45-31(44)22(8-9-23(41)42)39-30(43)24-25(34)27(36)29(38)28(37)26(24)35/h16-22H,4-14H2,1-3H3,(H,39,43)(H,41,42)/t16-,17-,18+,19-,20+,21+,22+,32+,33-/m1/s1 |
| InChIKey | GZMRFNSKGLAGPW-OCNBHKEMSA-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 | 641.676 g/mol |
| Sample ID | 70708 |
| Solvent | CDCl3 |