![6-[2''-(ANTI)-HYDROXY-3''-(4'-PHENYLBUTYLAMINO)-PROPXY]-3-OXO-8A-AZA-8A-HOMOERYTHROMYCIN_A;MAJOR_DIASTEREOMER](/api/spectrum/E9ErUEViQNA/structure.png?h=300&w=458 "6-[2''-(ANTI)-HYDROXY-3''-(4'-PHENYLBUTYLAMINO)-PROPXY]-3-OXO-8A-AZA-8A-HOMOERYTHROMYCIN_A;MAJOR_DIASTEREOMER")
| SpectraBase Compound ID | FAn6oBDq0so |
|---|---|
| InChI | InChI=1S/C42H71N3O11/c1-11-33-42(8,52)36(49)29(6)38(50)44-25(2)22-41(7,53-24-31(46)23-43-20-16-15-19-30-17-13-12-14-18-30)37(27(4)34(47)28(5)39(51)55-33)56-40-35(48)32(45(9)10)21-26(3)54-40/h12-14,17-18,25-29,31-33,35-37,40,43,46,48-49,52H,11,15-16,19-24H2,1-10H3,(H,44,50) |
| InChIKey | KBLTVQRNSHZPTO-UHFFFAOYSA-N |
| Mol Weight | 794.0 g/mol |
| Molecular Formula | C42H71N3O11 |
| Exact Mass | 793.50886 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E9ErUEViQNA |
|---|---|
| Name | 6-[2''-(SYN)-HYDROXY-3''-(4'-PHENYLBUTYLAMINO)-PROPXY]-3-OXO-8A-AZA-8A-HOMOERYTHROMYCIN_A;MAJOR_DIASTEREOMER |
| Compound Number | 14AC |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H71N3O11 |
| InChI | InChI=1S/C42H71N3O11/c1-11-33-42(8,52)36(49)29(6)38(50)44-25(2)22-41(7,53-24-31(46)23-43-20-16-15-19-30-17-13-12-14-18-30)37(27(4)34(47)28(5)39(51)55-33)56-40-35(48)32(45(9)10)21-26(3)54-40/h12-14,17-18,25-29,31-33,35-37,40,43,46,48-49,52H,11,15-16,19-24H2,1-10H3,(H,44,50) |
| InChIKey | KBLTVQRNSHZPTO-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 | 794.039 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ47443 |