| SpectraBase Compound ID | 5SlWfZPjMAd |
|---|---|
| InChI | InChI=1S/C28H36N5O14P3/c1-28-9-8-17-16-5-3-15(10-14(16)2-4-18(17)19(28)6-7-21(28)34)45-50(41,42)47-49(39,40)43-11-20-24(46-48(36,37)38)23(35)27(44-20)33-13-32-22-25(29)30-12-31-26(22)33/h3,5,10,12-13,17-20,23-24,27,35H,2,4,6-9,11H2,1H3,(H,39,40)(H,41,42)(H2,29,30,31)(H2,36,37,38)/p-3/t17-,18-,19+,20+,23+,24+,27+,28+/m0/s1 |
| InChIKey | KKVGMOPNYBBTJG-VCZFYODKSA-K |
| Mol Weight | 756.5 g/mol |
| Molecular Formula | C28H33N5O14P3 |
| Exact Mass | 756.123687 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gy9ohKocJdE |
|---|---|
| Name | 3'-PHOSPHO-ADENOSINE-5'-DIPHOSPHO-(3-ESTRONE) |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H32N5O14P3 |
| InChI | InChI=1S/C28H36N5O14P3/c1-28-9-8-17-16-5-3-15(10-14(16)2-4-18(17)19(28)6-7-21(28)34)45-50(41,42)47-49(39,40)43-11-20-24(46-48(36,37)38)23(35)27(44-20)33-13-32-22-25(29)30-12-31-26(22)33/h3,5,10,12-13,17-20,23-24,27,35H,2,4,6-9,11H2,1H3,(H,39,40)(H,41,42)(H2,29,30,31)(H2,36,37,38)/p-3/t17-,18-,19+,20+,23+,24+,27+,28+/m0/s1 |
| InChIKey | KKVGMOPNYBBTJG-VCZFYODKSA-K |
| 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 | 755.508 g/mol |
| Solvent | D2O |
| Source File Reference | UWVN24972 |