| SpectraBase Compound ID | FxUwjDwYBCo |
|---|---|
| InChI | InChI=1S/C48H60N5O14PSi2/c1-28(2)69(29(3)4)60-25-36-39(66-70(67-69,30(5)6)31(7)8)40(45(61-36)53-27-51-37-42(49-26-50-43(37)53)52-44(54)32-18-12-9-13-19-32)65-48-41(64-47(56)34-22-16-11-17-23-34)38(35(62-48)24-59-68(57)58)63-46(55)33-20-14-10-15-21-33/h9-23,26-31,35-36,38-41,45,48,68H,24-25H2,1-8H3,(H,57,58)(H,49,50,52,54)/t35-,36+,38-,39+,40+,41-,45+,48+/m0/s1 |
| InChIKey | ZQISTJBHEAJWGG-UTMVDJJZSA-N |
| Mol Weight | 1018.2 g/mol |
| Molecular Formula | C48H60N5O14PSi2 |
| Exact Mass | 1017.341292 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4nnd0zXS7aL |
|---|---|
| Name | 6-N-BENZOYL-3',5'-O-(TETRAISOPROPYLDISILOXANE-1,3-DIYL)-2'-O-(5''-H-PHOSPHONATE-2'',3''-DI-O-BENZOYL-BETA-D-RIBOFURANOSYL)-ADENOSINE |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H59N5O14PSi2 |
| InChI | InChI=1S/C48H60N5O14PSi2/c1-28(2)69(29(3)4)60-25-36-39(66-70(67-69,30(5)6)31(7)8)40(45(61-36)53-27-51-37-42(49-26-50-43(37)53)52-44(54)32-18-12-9-13-19-32)65-48-41(64-47(56)34-22-16-11-17-23-34)38(35(62-48)24-59-68(57)58)63-46(55)33-20-14-10-15-21-33/h9-23,26-31,35-36,38-41,45,48,68H,24-25H2,1-8H3,(H,57,58)(H,49,50,52,54)/t35-,36+,38-,39+,40+,41-,45+,48+/m0/s1 |
| InChIKey | ZQISTJBHEAJWGG-UTMVDJJZSA-N |
| Literature Reference Author | M.K.CHMIELEWSKI,W.T.MARKIEWICZ |
| Literature Reference Citation | MOLECULES,18,14780(2013) |
| Literature Reference DOI | 10.3390/molecules181214780 |
| Solvent | D2O |
| Source File Reference | UWIR9923 |