| SpectraBase Compound ID | 7a2xe5xAKCQ |
|---|---|
| InChI | InChI=1S/C49H79N4O15P/c1-28(19-21-50)15-13-16-29(2)31(4)23-32(5)41(56)34(7)37(54)24-40(64-12)44-45(68-69(60,61)62)48(8,9)49(67-44)25-38(55)33(6)39(66-49)18-14-17-35-26-65-47(53-35)30(3)20-22-52-46(59)43(58)42(57)36(51-10)27-63-11/h13-17,19,23,26,30,32-34,36-45,51,54-58H,18,20,22,24-25,27H2,1-12H3,(H,52,59)(H2,60,61,62)/b15-13+,17-14+,28-19+,29-16+,31-23+/t30-,32-,33+,34+,36-,37+,38-,39+,40+,41-,42-,43-,44+,45-,49-/m0/s1 |
| InChIKey | DRJFFABFDXTDCD-VUJGSWBPSA-N |
| Mol Weight | 995.2 g/mol |
| Molecular Formula | C49H79N4O15P |
| Exact Mass | 994.527955 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CXRaSqmiywF |
|---|---|
| Name | DES-N-METHYLCALYMYCIN-A |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H77N4O15P |
| InChI | InChI=1S/C49H79N4O15P/c1-28(19-21-50)15-13-16-29(2)31(4)23-32(5)41(56)34(7)37(54)24-40(64-12)44-45(68-69(60,61)62)48(8,9)49(67-44)25-38(55)33(6)39(66-49)18-14-17-35-26-65-47(53-35)30(3)20-22-52-46(59)43(58)42(57)36(51-10)27-63-11/h13-17,19,23,26,30,32-34,36-45,51,54-58H,18,20,22,24-25,27H2,1-12H3,(H,52,59)(H2,60,61,62)/b15-13+,17-14+,28-19+,29-16+,31-23+/t30-,32-,33+,34+,36-,37+,38-,39+,40+,41-,42-,43-,44+,45-,49-/m0/s1 |
| InChIKey | DRJFFABFDXTDCD-VUJGSWBPSA-N |
| Literature Reference Author | S.MATSUNAGA,T.WAKIMOTO,N.FUSETANI |
| Literature Reference Citation | J.ORG.CHEM.,62,2640(1997) |
| Literature Reference DOI | 10.1021/jo961746b |
| Molecular Weight | 993.142 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWCP8149 |