| SpectraBase Compound ID | 98hkr2gHuL5 |
|---|---|
| InChI | InChI=1S/C37H37N8O11PS2.C6H15N/c1-59-18-17-25(42-37(50)44-38)36(49)56-57(51,58)52-19-26-28(54-34(47)23-13-7-3-8-14-23)29(55-35(48)24-15-9-4-10-16-24)33(53-26)45-21-41-27-30(39-20-40-31(27)45)43-32(46)22-11-5-2-6-12-22;1-4-7(5-2)6-3/h2-16,20-21,25-26,28-29,33H,17-19,38H2,1H3,(H,51,58)(H2,42,44,50)(H,39,40,43,46);4-6H2,1-3H3/t25?,26-,28-,29-,33-,57?;/m0./s1 |
| InChIKey | FSHAZTHVRNCCPJ-GCYGUEIGSA-N |
| Mol Weight | 966.0 g/mol |
| Molecular Formula | C43H52N9O11PS2 |
| Exact Mass | 965.296533 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5nznr9tk6p6 |
|---|---|
| Name | FSHAZTHVRNCCPJ-GCYGUEIGSA-N |
| Compound Number | 7B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H52N9O11PS2 |
| InChI | InChI=1S/C37H37N8O11PS2.C6H15N/c1-59-18-17-25(42-37(50)44-38)36(49)56-57(51,58)52-19-26-28(54-34(47)23-13-7-3-8-14-23)29(55-35(48)24-15-9-4-10-16-24)33(53-26)45-21-41-27-30(39-20-40-31(27)45)43-32(46)22-11-5-2-6-12-22;1-4-7(5-2)6-3/h2-16,20-21,25-26,28-29,33H,17-19,38H2,1H3,(H,51,58)(H2,42,44,50)(H,39,40,43,46);4-6H2,1-3H3/t25?,26-,28-,29-,33-,57?;/m0./s1 |
| InChIKey | FSHAZTHVRNCCPJ-GCYGUEIGSA-N |
| Literature Reference Author | T.MORIGUCHI,T.YANAGI,T.WADA,M.SEKINE |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1859(1999) |
| Literature Reference DOI | 10.1039/a900985j |
| Solvent | C5H5N:C5D5N=4:1 |
| Source File Reference | UWSI8031 |