| SpectraBase Compound ID | IT18RjF9rXk |
|---|---|
| InChI | InChI=1S/C40H71NO16S/c1-16-28-40(10,46)33(44)23(4)30(43)21(2)18-38(8,49-13)34(56-37-32(57-58(15,47)48)27(41(11)12)17-22(3)52-37)24(5)31(25(6)36(45)54-28)55-29-19-39(9,50-14)35(51-20-42)26(7)53-29/h20-29,31-35,37,44,46H,16-19H2,1-15H3/t21-,22-,23+,24-,25-,26+,27+,28-,29+,31+,32-,33+,34-,35+,37+,38-,39-,40-/m0/s1 |
| InChIKey | GPBOWLUKHHFAPU-RQGWVJOKSA-N |
| Mol Weight | 854.1 g/mol |
| Molecular Formula | C40H71NO16S |
| Exact Mass | 853.449356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Cuyfy47LCd |
|---|---|
| Name | 4''-O-FORMYL-2'-O-METHANESULFONYL-6-O-METHYLERYTHROMYCIN_A |
| Compound Number | 2D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H71NO16S |
| InChI | InChI=1S/C40H71NO16S/c1-16-28-40(10,46)33(44)23(4)30(43)21(2)18-38(8,49-13)34(56-37-32(57-58(15,47)48)27(41(11)12)17-22(3)52-37)24(5)31(25(6)36(45)54-28)55-29-19-39(9,50-14)35(51-20-42)26(7)53-29/h20-29,31-35,37,44,46H,16-19H2,1-15H3/t21-,22-,23+,24-,25-,26+,27+,28-,29+,31+,32-,33+,34-,35+,37+,38-,39-,40-/m0/s1 |
| InChIKey | GPBOWLUKHHFAPU-RQGWVJOKSA-N |
| Literature Reference Author | S.MORIMOTO,T.ADACHI,Y.WATANABE,S.OMURA |
| Literature Reference Citation | HETEROCYCLES,31,305(1990) |
| Literature Reference DOI | 10.3987/COM-89-5236 |
| Molecular Weight | 854.061 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ837 |