| SpectraBase Compound ID | 4ip1jGo6OqO |
|---|---|
| InChI | InChI=1S/C57H50N7O14P/c65-46(31-44(56(69)72-32-38-19-7-1-8-20-38)61-57(70)73-33-39-21-9-2-10-22-39)63-79(71,74-34-40-23-11-3-12-24-40)75-35-45-48(77-54(67)42-27-15-5-16-28-42)49(78-55(68)43-29-17-6-18-30-43)53(76-45)64-37-60-47-50(58-36-59-51(47)64)62-52(66)41-25-13-4-14-26-41/h1-30,36-37,44-45,48-49,53H,31-35H2,(H,61,70)(H,63,65,71)(H,58,59,62,66)/t44-,45+,48+,49+,53+,79?/m0/s1 |
| InChIKey | YNEMXVZUODCGMY-XPCCDXLESA-N |
| Mol Weight | 1088.0 g/mol |
| Molecular Formula | C57H50N7O14P |
| Exact Mass | 1087.315336 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EDvyoPbGsnA |
|---|---|
| Name | O-(6-N-BENZOYL-2',3'-O-DIBENZOYLADENOSINE-5'-O-YL)-N-(O-BENZYL-N-BENZYLOXYCARBONYL-L-ASPARAGINYL)-O-BENZYLOXYPHOSPHORAMIDATE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H50N7O14P |
| InChI | InChI=1S/C57H50N7O14P/c65-46(31-44(56(69)72-32-38-19-7-1-8-20-38)61-57(70)73-33-39-21-9-2-10-22-39)63-79(71,74-34-40-23-11-3-12-24-40)75-35-45-48(77-54(67)42-27-15-5-16-28-42)49(78-55(68)43-29-17-6-18-30-43)53(76-45)64-37-60-47-50(58-36-59-51(47)64)62-52(66)41-25-13-4-14-26-41/h1-30,36-37,44-45,48-49,53H,31-35H2,(H,61,70)(H,63,65,71)(H,58,59,62,66)/t44-,45+,48+,49+,53+,79?/m0/s1 |
| InChIKey | YNEMXVZUODCGMY-XPCCDXLESA-N |
| Literature Reference Author | Y.DING,J.WANG,S.M.SCHUSTER,N.G.J.RICHARDS |
| Literature Reference Citation | J.ORG.CHEM.,67,4372(2002) |
| Literature Reference DOI | 10.1021/jo025510l |
| Molecular Weight | 1088.036 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN23598 |