| SpectraBase Compound ID | CC3x9VBOAUV |
|---|---|
| InChI | InChI=1S/C21H28N7O12P/c1-22-17-12-18(24-7-23-17)28(8-25-12)19-14(32)13(31)10(39-19)6-37-41(35,36-2)40-16-9(5-29)38-20(15(16)33)27-4-3-11(30)26-21(27)34/h3-4,7-10,13-16,19-20,29,31-33H,5-6H2,1-2H3,(H,22,23,24)(H,26,30,34)/t9-,10-,13-,14-,15-,16-,19-,20-,41?/m0/s1 |
| InChIKey | MZFDKQKVODVLFT-LFNJKTNDSA-N |
| Mol Weight | 601.47 g/mol |
| Molecular Formula | C21H28N7O12P |
| Exact Mass | 601.153356 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | uLDfkkFJVf |
|---|---|
| Name | (S-P)-URIDYLYL-(3'->5')-N(1)-METHYLADENOSINE-METHYLESTER |
| Compound Number | 9B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H28N7O12P |
| InChI | InChI=1S/C21H28N7O12P/c1-22-17-12-18(24-7-23-17)28(8-25-12)19-14(32)13(31)10(39-19)6-37-41(35,36-2)40-16-9(5-29)38-20(15(16)33)27-4-3-11(30)26-21(27)34/h3-4,7-10,13-16,19-20,29,31-33H,5-6H2,1-2H3,(H,22,23,24)(H,26,30,34)/t9-,10-,13-,14-,15-,16-,19-,20-,41?/m0/s1 |
| InChIKey | MZFDKQKVODVLFT-LFNJKTNDSA-N |
| Literature Reference Author | F.SEELA,J.OTT,B.V.L.POTTER |
| Literature Reference Citation | J.AM.CHEM.SOC.,105,5879(1983) |
| Literature Reference DOI | 10.1021/ja00356a027 |
| Solvent | DMSO-D6:CH3OH=1:1 |
| Source File Reference | UWCS814984 |