| SpectraBase Compound ID | KsIXqhDYJA0 |
|---|---|
| InChI | InChI=1S/C46H80N2O13.H3O4P/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(7)58-45;1-5(2,3)4/h14-15,19,26-33,35-36,38-46,50,52-54H,13,16-18,20-24H2,1-12H3;(H3,1,2,3,4)/b15-14+,25-19+;/t26-,27+,28-,29+,30-,31-,32+,33-,35-,36-,38+,39-,40-,41-,42-,43-,44-,45+,46-;/m1./s1 |
| InChIKey | NESIVXZOSKKUDP-ARVJLQODSA-N |
| Mol Weight | 967.1 g/mol |
| Molecular Formula | C46H83N2O17P |
| Exact Mass | 966.542936 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kozwi7ARlE3 |
|---|---|
| Name | TILMICOSIN-PHOSPHATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H80N2O17P |
| InChI | InChI=1S/C46H80N2O13.H3O4P/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(7)58-45;1-5(2,3)4/h14-15,19,26-33,35-36,38-46,50,52-54H,13,16-18,20-24H2,1-12H3;(H3,1,2,3,4)/b15-14+,25-19+;/t26-,27+,28-,29+,30-,31-,32+,33-,35-,36-,38+,39-,40-,41-,42-,43-,44-,45+,46-;/m1./s1 |
| InChIKey | NESIVXZOSKKUDP-ARVJLQODSA-N |
| Literature Reference Author | N.ZHANG,L.WANG,J.B.CHANG |
| Literature Reference Citation | LIFE.SCI.J.,7,107(2010) |
| Molecular Weight | 964.118 g/mol |
| Source File Reference | UWLU75998 |