![#9B;[4-[6-AMINO-9-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YL)-9H-PURIN-8-YLCARBAMOYL]-3-(DIPHENYL-PHOSPHINOYL)-BENZOYLAMINO]-ACETIC-ACID-ETHYLESTER](/api/spectrum/KNJQlfLBhlk/structure.png?h=300&w=458 "#9B;[4-[6-AMINO-9-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YL)-9H-PURIN-8-YLCARBAMOYL]-3-(DIPHENYL-PHOSPHINOYL)-BENZOYLAMINO]-ACETIC-ACID-ETHYLESTER")
| SpectraBase Compound ID | DJRmMuLA1JC |
|---|---|
| InChI | InChI=1S/2C35H36N7O9P/c2*1-3-50-26(44)17-37-32(47)20-14-15-23(25(16-20)52(48,21-10-6-4-7-11-21)22-12-8-5-9-13-22)33(49-2)41-35-40-27-30(36)38-19-39-31(27)42(35)34-29(46)28(45)24(18-43)51-34/h2*4-16,19,24,28-29,34,43,45-46H,3,17-18H2,1-2H3,(H,37,47)(H2,36,38,39)/b2*41-33-/t2*24-,28?,29?,34-/m00/s1 |
| InChIKey | KBEPUWXFKLLQFN-QWVJOKHNSA-N |
| Mol Weight | 1459.4 g/mol |
| Molecular Formula | C70H72N14O18P2 |
| Exact Mass | 1458.462426 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KNJQlfLBhlk |
|---|---|
| Name | #9B;[4-[6-AMINO-9-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YL)-9H-PURIN-8-YLCARBAMOYL]-3-(DIPHENYL-PHOSPHINOYL)-BENZOYLAMINO]-ACETIC-ACID-ETHYLESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H72N14O18P2 |
| InChI | InChI=1S/2C35H36N7O9P/c2*1-3-50-26(44)17-37-32(47)20-14-15-23(25(16-20)52(48,21-10-6-4-7-11-21)22-12-8-5-9-13-22)33(49-2)41-35-40-27-30(36)38-19-39-31(27)42(35)34-29(46)28(45)24(18-43)51-34/h2*4-16,19,24,28-29,34,43,45-46H,3,17-18H2,1-2H3,(H,37,47)(H2,36,38,39)/b2*41-33-/t2*24-,28?,29?,34-/m00/s1 |
| InChIKey | KBEPUWXFKLLQFN-QWVJOKHNSA-N |
| Literature Reference Author | J.A.RESTITUYO,L.R.COMSTOCK,S.G.PETERSEN,T.STRINGFELLOW,S.R.R AJSKI |
| Literature Reference Citation | ORG.LETTERS,5,4357(2003) |
| Literature Reference DOI | 10.1021/ol035635s |
| Solvent | CDCl3 |
| Source File Reference | UWLU38735 |