| SpectraBase Compound ID | 8JlVcPds4L7 |
|---|---|
| InChI | InChI=1S/C35H63NO12/c1-12-25-18(4)29(39)20(6)28(38)17(3)24(37)14-26(47-34-30(40)23(36(10)11)13-16(2)44-34)19(5)31(21(7)33(42)46-25)48-27-15-35(9,43)32(41)22(8)45-27/h16-27,29-32,34,37,39-41,43H,12-15H2,1-11H3/t16-,17-,18+,19-,20+,21-,22-,23+,24?,25-,26+,27-,29+,30-,31+,32-,34+,35+/m1/s1 |
| InChIKey | XVXOJKBKQGAYIQ-BYXCGEHUSA-N |
| Mol Weight | 689.9 g/mol |
| Molecular Formula | C35H63NO12 |
| Exact Mass | 689.435026 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BmdmCTiLH5v |
|---|---|
| Name | 7-HYDROXY-6-DEMETHYL-6-DEOXY-ERYTHROMYCIN-D |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H63NO12 |
| InChI | InChI=1S/C35H63NO12/c1-12-25-18(4)29(39)20(6)28(38)17(3)24(37)14-26(47-34-30(40)23(36(10)11)13-16(2)44-34)19(5)31(21(7)33(42)46-25)48-27-15-35(9,43)32(41)22(8)45-27/h16-27,29-32,34,37,39-41,43H,12-15H2,1-11H3/t16-,17-,18+,19-,20+,21-,22-,23+,24?,25-,26+,27-,29+,30-,31+,32-,34+,35+/m1/s1 |
| InChIKey | XVXOJKBKQGAYIQ-BYXCGEHUSA-N |
| Literature Reference Author | C.M.STARKS,E.RODRIGUEZ,J.R.CARNEY,R.P.DESAI,C.CARRERAS,R.MC. DANIEL,P.J.LICARI |
| Literature Reference Citation | J.ANTIBIOTICS,57,64(2004) |
| Literature Reference DOI | 10.7164/antibiotics.57.64 |
| Molecular Weight | 689.885 g/mol |
| Sample ID | 53478 |
| Solvent | CDCl3 |