![CYCLO[-(D-VAL-L-LAC-L-VAL-D-PRO)3-], TALLIUM CATION](/api/spectrum/Lq1nDnebRTj/structure.png?h=300&w=458 "CYCLO[-(D-VAL-L-LAC-L-VAL-D-PRO)3-], TALLIUM CATION")
| SpectraBase Compound ID | 7PoCCALzfog |
|---|---|
| InChI | InChI=1S/C54H87N9O15.Tl/c1-25(2)37-49(70)61-22-16-19-34(61)46(67)58-41(29(9)10)53(74)77-32(14)44(65)56-39(27(5)6)51(72)63-24-18-21-36(63)48(69)60-42(30(11)12)54(75)78-33(15)45(66)57-38(26(3)4)50(71)62-23-17-20-35(62)47(68)59-40(28(7)8)52(73)76-31(13)43(64)55-37;/h25-42H,16-24H2,1-15H3,(H,55,64)(H,56,65)(H,57,66)(H,58,67)(H,59,68)(H,60,69);/q;+1/t31-,32-,33-,34+,35+,36+,37-,38-,39?,40+,41+,42+;/m1./s1 |
| InChIKey | NAZYUUDBYHCGGP-GJCCUZOFSA-N |
| Mol Weight | 1306.7 g/mol |
| Molecular Formula | C54H87N9O15Tl |
| Exact Mass | 1306.60659 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lq1nDnebRTj |
|---|---|
| Name | CYCLO[-(D-VAL-L-LAC-L-VAL-D-PRO)3-], TALLIUM CATION |
| Comments | 0 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C54H87N9O15Tl |
| InChI | InChI=1S/C54H87N9O15.Tl/c1-25(2)37-49(70)61-22-16-19-34(61)46(67)58-41(29(9)10)53(74)77-32(14)44(65)56-39(27(5)6)51(72)63-24-18-21-36(63)48(69)60-42(30(11)12)54(75)78-33(15)45(66)57-38(26(3)4)50(71)62-23-17-20-35(62)47(68)59-40(28(7)8)52(73)76-31(13)43(64)55-37;/h25-42H,16-24H2,1-15H3,(H,55,64)(H,56,65)(H,57,66)(H,58,67)(H,59,68)(H,60,69);/q;+1/t31-,32-,33-,34+,35+,36+,37-,38-,39?,40+,41+,42+;/m1./s1 |
| InChIKey | NAZYUUDBYHCGGP-GJCCUZOFSA-N |
| Instrument Name | Varian XL-100 |
| Literature Reference | T.A.BALASHOVA, L.A.FONINA, A.Z.GUREVICH, N.V.STAROVOITOVA, L.B.SENYAVINA,G.YA.AVOTIN, V.T.IVANOV, YU.A.OVCHINNIKOV (1983) Bioorganich.Khim.(Russ.Lang.): v.9, N7, 883-899. |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |