SpectraBase Compound ID | EJdom9aZMPW |
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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 |
SpectraBase Spectrum ID | 4NtIldHFHy9 |
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Name | 6-{3''-[4-(2-ETHOXYPHENYL)-PIPERAZIN-1-YL)-2''-(SYN)-HYDROXY-PROPOXY}-3-OXO-8A-AZA-8A-HOMOERYTHROMYCIN_A;AJOR_DIASTEREOMER |
Compound Number | 14AP |
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 | UWMZ47445 |