| SpectraBase Compound ID | 3lMPAXw8CGu |
|---|---|
| InChI | InChI=1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3/b13-12+,16-14+/t24-,25-,26+,27+,29+,30+,31-,34-,35+,36+,37+,38?,39?,40-,41-,42+/m1/s1 |
| InChIKey | XJSFLOJWULLJQS-XNOCAUCISA-N |
| Mol Weight | 828.0 g/mol |
| Molecular Formula | C42H69NO15 |
| Exact Mass | 827.466721 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7JKaucLbrh |
|---|---|
| Name | JOSAMYCIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H69NO15 |
| InChI | InChI=1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3/b13-12+,16-14+/t24-,25-,26+,27+,29+,30+,31-,34-,35+,36+,37+,38?,39?,40-,41-,42+/m1/s1 |
| InChIKey | XJSFLOJWULLJQS-XNOCAUCISA-N |
| Literature Reference Author | J.GHARBI-BENAROUS,N.EVRARD-TODESCHI,P.LADAM,G.BERTHO,M.DELAF ORGE,J.P.GIRAULT |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-2,529(1999) |
| Literature Reference DOI | 10.1039/a808309f |
| Molecular Weight | 828.008 g/mol |
| Solvent | D2O:DMSO-D6=1:4;4MM |
| Source File Reference | UWRU10291 |