![3'-[[BIS-(BENZYLOXY)-PHOSPHINYL]-OXY]-ADENOSINE-5'-DIPHOSPHO-(3-ESTRONE)](/api/spectrum/2AtEqzwwLI7/structure.png?h=300&w=458 "3'-[[BIS-(BENZYLOXY)-PHOSPHINYL]-OXY]-ADENOSINE-5'-DIPHOSPHO-(3-ESTRONE)")
| SpectraBase Compound ID | ISlCYvXIXT2 |
|---|---|
| InChI | InChI=1S/C50H56N5O15P3/c1-50-24-23-39-38-20-18-37(25-35(38)15-19-40(39)41(50)21-22-43(50)56)68-72(59,60)70-71(57,58)64-29-42-45(69-73(61,65-27-32-9-5-3-6-10-32)66-28-33-11-7-4-8-12-33)46(63-26-34-13-16-36(62-2)17-14-34)49(67-42)55-31-54-44-47(51)52-30-53-48(44)55/h3-14,16-18,20,25,30-31,39-42,45-46,49H,15,19,21-24,26-29H2,1-2H3,(H,57,58)(H,59,60)(H2,51,52,53)/p-2/t39-,40-,41+,42+,45+,46+,49+,50+/m0/s1 |
| InChIKey | BRFSWYMLEDXPCT-FNDFMBCDSA-L |
| Mol Weight | 1057.9 g/mol |
| Molecular Formula | C50H54N5O15P3 |
| Exact Mass | 1057.282927 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2AtEqzwwLI7 |
|---|---|
| Name | 3'-[[BIS-(BENZYLOXY)-PHOSPHINYL]-OXY]-ADENOSINE-5'-DIPHOSPHO-(3-ESTRONE) |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H54N5O15P3 |
| InChI | InChI=1S/C50H56N5O15P3/c1-50-24-23-39-38-20-18-37(25-35(38)15-19-40(39)41(50)21-22-43(50)56)68-72(59,60)70-71(57,58)64-29-42-45(69-73(61,65-27-32-9-5-3-6-10-32)66-28-33-11-7-4-8-12-33)46(63-26-34-13-16-36(62-2)17-14-34)49(67-42)55-31-54-44-47(51)52-30-53-48(44)55/h3-14,16-18,20,25,30-31,39-42,45-46,49H,15,19,21-24,26-29H2,1-2H3,(H,57,58)(H,59,60)(H2,51,52,53)/p-2/t39-,40-,41+,42+,45+,46+,49+,50+/m0/s1 |
| InChIKey | BRFSWYMLEDXPCT-FNDFMBCDSA-L |
| Literature Reference Author | J.I.ARMSTRONG,D.E.VERDUGO,C.R.BERTOZZI |
| Literature Reference Citation | J.ORG.CHEM.,68,170(2003) |
| Literature Reference DOI | 10.1021/jo0260443 |
| Molecular Weight | 1057.925 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN24971 |