| SpectraBase Compound ID | G4IrIRRA5YD |
|---|---|
| InChI | InChI=1S/C40H55F5N2O7/c1-37(2,3)53-27(48)14-12-25(46-36(51)54-38(4,5)6)35(50)52-21-15-17-39(7)20(19-21)9-10-22-23-11-13-26(40(23,8)18-16-24(22)39)47-34(49)28-29(41)31(43)33(45)32(44)30(28)42/h20-26H,9-19H2,1-8H3,(H,46,51)(H,47,49)/t20-,21-,22+,23+,24+,25+,26+,39?,40?/m1/s1 |
| InChIKey | OJOGITFSGNUSIL-VXSFTBOGSA-N |
| Mol Weight | 770.9 g/mol |
| Molecular Formula | C40H55F5N2O7 |
| Exact Mass | 770.392943 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Q8X239Cm81 |
|---|---|
| Name | 17-BETA-(PENTAFLUOROBENZOYL)-AMINO-5-BETA-ANDROSTAN-3-ALPHA-YL-O(5)-TERT.-BUTYL-N-(TERT.-BUTOXYCARBONYL)-L-GLUTAMATE |
| Compound Number | 13A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H55F5N2O7 |
| InChI | InChI=1S/C40H55F5N2O7/c1-37(2,3)53-27(48)14-12-25(46-36(51)54-38(4,5)6)35(50)52-21-15-17-39(7)20(19-21)9-10-22-23-11-13-26(40(23,8)18-16-24(22)39)47-34(49)28-29(41)31(43)33(45)32(44)30(28)42/h20-26H,9-19H2,1-8H3,(H,46,51)(H,47,49)/t20-,21-,22+,23+,24+,25+,26+,39?,40?/m1/s1 |
| InChIKey | OJOGITFSGNUSIL-VXSFTBOGSA-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 |
| Solvent | CDCl3 |
| Source File Reference | UWLU70713 |