| SpectraBase Compound ID | 4hEkbO3ihbH |
|---|---|
| InChI | InChI=1S/C39H70ClNO14S/c1-16-27-39(10,45)32(43)22(4)30(42)20(2)18-37(8,48-13)33(54-36-29(40)26(41(11)12)17-21(3)50-36)23(5)31(24(6)35(44)52-27)53-28-19-38(9,49-14)34(25(7)51-28)55-56(15,46)47/h20-29,31-34,36,43,45H,16-19H2,1-15H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,31+,32+,33-,34+,36+,37-,38-,39-/m0/s1 |
| InChIKey | UKRPDMWVGHEOAR-UOGZTYHNSA-N |
| Mol Weight | 844.5 g/mol |
| Molecular Formula | C39H70ClNO14S |
| Exact Mass | 843.420555 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JembivOGb7k |
|---|---|
| Name | (2'R,3'S)-2'-CHLORO-2'-DEHYDROXY-4''-O-METHANOSULFONYL-6-O-METHYLERYTHROMYCIN_A |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H70ClNO14S |
| InChI | InChI=1S/C39H70ClNO14S/c1-16-27-39(10,45)32(43)22(4)30(42)20(2)18-37(8,48-13)33(54-36-29(40)26(41(11)12)17-21(3)50-36)23(5)31(24(6)35(44)52-27)53-28-19-38(9,49-14)34(25(7)51-28)55-56(15,46)47/h20-29,31-34,36,43,45H,16-19H2,1-15H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,31+,32+,33-,34+,36+,37-,38-,39-/m0/s1 |
| InChIKey | UKRPDMWVGHEOAR-UOGZTYHNSA-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 | 844.496 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ842 |