| SpectraBase Compound ID | 9GCwpVhNmYP |
|---|---|
| InChI | InChI=1S/C30H54N2O23S/c1-48-25-21(44)17(40)13(36)9(52-25)2-31-29(56)32-30(6-49-26-22(45)18(41)14(37)10(3-33)53-26,7-50-27-23(46)19(42)15(38)11(4-34)54-27)8-51-28-24(47)20(43)16(39)12(5-35)55-28/h9-28,33-47H,2-8H2,1H3,(H2,31,32,56)/t9-,10+,11+,12+,13-,14+,15+,16+,17+,18-,19-,20-,21-,22-,23-,24-,25+,26-,27-,28-/m1/s1 |
| InChIKey | JFAWSVLMLCWGSN-NUDFCUQESA-N |
| Mol Weight | 842.8 g/mol |
| Molecular Formula | C30H54N2O23S |
| Exact Mass | 842.283807 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9DZbFZ1U1eW |
|---|---|
| Name | JFAWSVLMLCWGSN-NUDFCUQESA-N |
| Compound Number | 35 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H54N2O23S |
| InChI | InChI=1S/C30H54N2O23S/c1-48-25-21(44)17(40)13(36)9(52-25)2-31-29(56)32-30(6-49-26-22(45)18(41)14(37)10(3-33)53-26,7-50-27-23(46)19(42)15(38)11(4-34)54-27)8-51-28-24(47)20(43)16(39)12(5-35)55-28/h9-28,33-47H,2-8H2,1H3,(H2,31,32,56)/t9-,10+,11+,12+,13-,14+,15+,16+,17+,18-,19-,20-,21-,22-,23-,24-,25+,26-,27-,28-/m1/s1 |
| InChIKey | JFAWSVLMLCWGSN-NUDFCUQESA-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 | 842.818 g/mol |
| Sample ID | 27895 |
| Solvent | D2O |