| SpectraBase Compound ID | 50VQRoouJ5u |
|---|---|
| InChI | InChI=1S/C41H42N3O10P/c1-26(30-15-16-32-25-34(53-2)20-17-31(32)24-30)38(45)42-35(21-27-9-5-3-6-10-27)39(46)43-36(22-28-11-7-4-8-12-28)40(47)44-37(41(48)49)23-29-13-18-33(19-14-29)54-55(50,51)52/h3-20,24-26,35-37H,21-23H2,1-2H3,(H,42,45)(H,43,46)(H,44,47)(H,48,49)(H2,50,51,52)/t26-,35+,36+,37+/m0/s1 |
| InChIKey | PGGSXVUOYHQUHU-CCBSTWLHSA-N |
| Mol Weight | 767.8 g/mol |
| Molecular Formula | C41H42N3O10P |
| Exact Mass | 767.260782 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HWdafgLn81U |
|---|---|
| Name | NAPROXEN-D-PHE-D-PHE-D-TYR-PHOSPHATE |
| Compound Number | 1E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H40N3O10P |
| InChI | InChI=1S/C41H42N3O10P/c1-26(30-15-16-32-25-34(53-2)20-17-31(32)24-30)38(45)42-35(21-27-9-5-3-6-10-27)39(46)43-36(22-28-11-7-4-8-12-28)40(47)44-37(41(48)49)23-29-13-18-33(19-14-29)54-55(50,51)52/h3-20,24-26,35-37H,21-23H2,1-2H3,(H,42,45)(H,43,46)(H,44,47)(H,48,49)(H2,50,51,52)/t26-,35+,36+,37+/m0/s1 |
| InChIKey | PGGSXVUOYHQUHU-CCBSTWLHSA-N |
| Literature Reference Author | J.LI,Y.KUANG,J.SHI,Y.GAO,J.ZHOU,B.XU |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,9,908(2013) |
| Literature Reference DOI | 10.3762/bjoc.9.104 |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU77079 |