| SpectraBase Compound ID | EJdom9aZMPW |
|---|---|
| InChI | InChI=1S/C44H74N4O12/c1-12-35-44(9,55)38(52)30(7)40(53)45-26(3)23-43(8,57-25-31(49)24-47-18-20-48(21-19-47)32-16-14-15-17-34(32)56-13-2)39(28(5)36(50)29(6)41(54)59-35)60-42-37(51)33(46(10)11)22-27(4)58-42/h14-17,26-31,33,35,37-39,42,49,51-52,55H,12-13,18-25H2,1-11H3,(H,45,53) |
| InChIKey | HKAOFYOSVONTRI-UHFFFAOYSA-N |
| Mol Weight | 851.1 g/mol |
| Molecular Formula | C44H74N4O12 |
| Exact Mass | 850.530324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4IZHFHTZan7 |
|---|---|
| Name | 6-{3''-[4-(2-ETHOXYPHENYL)-PIPERAZIN-1-YL)-2''-(ANTI)-HYDROXY-PROPOXY}-3-OXO-8A-AZA-8A-HOMOERYTHROMYCIN_A;MAJOR_DIASTEREOMER |
| Compound Number | 14BP |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H74N4O12 |
| InChI | InChI=1S/C44H74N4O12/c1-12-35-44(9,55)38(52)30(7)40(53)45-26(3)23-43(8,57-25-31(49)24-47-18-20-48(21-19-47)32-16-14-15-17-34(32)56-13-2)39(28(5)36(50)29(6)41(54)59-35)60-42-37(51)33(46(10)11)22-27(4)58-42/h14-17,26-31,33,35,37-39,42,49,51-52,55H,12-13,18-25H2,1-11H3,(H,45,53) |
| InChIKey | HKAOFYOSVONTRI-UHFFFAOYSA-N |
| Literature Reference Author | D.PAVLOVIC,S.MUTAK |
| Literature Reference Citation | J.MED.CHEM.,53,5868(2010) |
| Literature Reference DOI | 10.1021/jm100711p |
| Molecular Weight | 851.091 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ47446 |