| SpectraBase Compound ID | Eb29VsrVOJJ |
|---|---|
| InChI | InChI=1S/C36H65N3O24S/c1-56-31-27(52)23(48)19(44)14(60-31)7-38-35(64)37-6-4-2-3-5-18(43)39-36(11-57-32-28(53)24(49)20(45)15(8-40)61-32,12-58-33-29(54)25(50)21(46)16(9-41)62-33)13-59-34-30(55)26(51)22(47)17(10-42)63-34/h14-17,19-34,40-42,44-55H,2-13H2,1H3,(H,39,43)(H2,37,38,64)/t14-,15-,16-,17-,19-,20-,21-,22-,23+,24+,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+/m0/s1 |
| InChIKey | ZPMWLTJOESPRMR-GZHZPSPZSA-N |
| Mol Weight | 956.0 g/mol |
| Molecular Formula | C36H65N3O24S |
| Exact Mass | 955.367871 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KfNIBBpfyCj |
|---|---|
| Name | ZPMWLTJOESPRMR-GZHZPSPZSA-N |
| Compound Number | 36 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H65N3O24S |
| InChI | InChI=1S/C36H65N3O24S/c1-56-31-27(52)23(48)19(44)14(60-31)7-38-35(64)37-6-4-2-3-5-18(43)39-36(11-57-32-28(53)24(49)20(45)15(8-40)61-32,12-58-33-29(54)25(50)21(46)16(9-41)62-33)13-59-34-30(55)26(51)22(47)17(10-42)63-34/h14-17,19-34,40-42,44-55H,2-13H2,1H3,(H,39,43)(H2,37,38,64)/t14-,15-,16-,17-,19-,20-,21-,22-,23+,24+,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+/m0/s1 |
| InChIKey | ZPMWLTJOESPRMR-GZHZPSPZSA-N |
| Literature Reference Author | J.M.BENITO,M.GOMEZ-GARCIA,C.O.MELLET,I.BAUSSANNE,J.DEFAYE,J. M.G.FERNANDEZ |
| Literature Reference Citation | J.AM.CHEM.SOC.,126,10355(2004) |
| Literature Reference DOI | 10.1021/ja047864v |
| Molecular Weight | 955.978 g/mol |
| Sample ID | 27897 |
| Solvent | D2O |