| SpectraBase Compound ID | NQOuAtIfbc |
|---|---|
| InChI | InChI=1S/C53H79NO17/c1-14-39-53(10,61)44(56)32(4)41(55)30(2)26-52(9,63-13)46(33(5)42(34(6)47(58)68-39)69-40-27-51(8,62-12)45(57)35(7)67-40)71-48-43(70-50(60)65-29-37-23-19-16-20-24-37)38(25-31(3)66-48)54(11)49(59)64-28-36-21-17-15-18-22-36/h15-24,30-35,38-40,42-46,48,56-57,61H,14,25-29H2,1-13H3/t30-,31-,32+,33+,34+,35-,38+,39-,40-,42+,43-,44-,45-,46-,48+,51+,52-,53+/m1/s1 |
| InChIKey | NONBFTKLNAJHMX-UTXQZVPZSA-N |
| Mol Weight | 1002.2 g/mol |
| Molecular Formula | C53H79NO17 |
| Exact Mass | 1001.5348 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CaTADwLKgSj |
|---|---|
| Name | 2'-O,3'-N-BIS-(BENZYLOXYCARBONYL)-N-DEMETHYL-6-O-METHYL-ERYTHROMYCIN-A |
| Compound Number | 3Z |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H79NO17 |
| InChI | InChI=1S/C53H79NO17/c1-14-39-53(10,61)44(56)32(4)41(55)30(2)26-52(9,63-13)46(33(5)42(34(6)47(58)68-39)69-40-27-51(8,62-12)45(57)35(7)67-40)71-48-43(70-50(60)65-29-37-23-19-16-20-24-37)38(25-31(3)66-48)54(11)49(59)64-28-36-21-17-15-18-22-36/h15-24,30-35,38-40,42-46,48,56-57,61H,14,25-29H2,1-13H3/t30-,31-,32+,33+,34+,35-,38+,39-,40-,42+,43-,44-,45-,46-,48+,51+,52-,53+/m1/s1 |
| InChIKey | NONBFTKLNAJHMX-UTXQZVPZSA-N |
| Literature Reference Author | S.MORIMOTO,Y.MISAWA,T.ADACHI,T.NAGATE,Y.WATANABE,S.OMURA |
| Literature Reference Citation | J.ANTIBIOTICS,43,286(1990) |
| Literature Reference DOI | 10.7164/antibiotics.43.286 |
| Molecular Weight | 1002.207 g/mol |
| Sample ID | 65846 |
| Solvent | CDCl3 |