| SpectraBase Compound ID | CGUHtOsuHUA |
|---|---|
| InChI | InChI=1S/C40H73NO17S2/c1-17-28-40(10,45)33(43)23(4)30(42)21(2)19-38(8,50-13)34(56-37-32(57-59(15,46)47)27(41(11)12)18-22(3)52-37)24(5)31(25(6)36(44)54-28)55-29-20-39(9,51-14)35(26(7)53-29)58-60(16,48)49/h21-29,31-35,37,43,45H,17-20H2,1-16H3/t21-,22-,23+,24-,25-,26+,27+,28-,29+,31+,32-,33+,34-,35+,37+,38-,39-,40-/m0/s1 |
| InChIKey | VAFAGOLTBHTCNO-RQGWVJOKSA-N |
| Mol Weight | 904.1 g/mol |
| Molecular Formula | C40H73NO17S2 |
| Exact Mass | 903.431992 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FUBKUn3GL4b |
|---|---|
| Name | 2',4''-DI-O-METHANESULFONYL-6-O-METHYLERYTHROMYCIN_A |
| Compound Number | 2C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H73NO17S2 |
| InChI | InChI=1S/C40H73NO17S2/c1-17-28-40(10,45)33(43)23(4)30(42)21(2)19-38(8,50-13)34(56-37-32(57-59(15,46)47)27(41(11)12)18-22(3)52-37)24(5)31(25(6)36(44)54-28)55-29-20-39(9,51-14)35(26(7)53-29)58-60(16,48)49/h21-29,31-35,37,43,45H,17-20H2,1-16H3/t21-,22-,23+,24-,25-,26+,27+,28-,29+,31+,32-,33+,34-,35+,37+,38-,39-,40-/m0/s1 |
| InChIKey | VAFAGOLTBHTCNO-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 | 904.136 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ836 |