| SpectraBase Compound ID | E19vP1s1N3S |
|---|---|
| InChI | InChI=1S/C31H48O6S.Na/c1-21(11-13-24-19-25(32)14-15-27(24)33)9-7-10-23(3)28(37-38(34,35)36)20-26-22(2)12-16-29-30(4,5)17-8-18-31(26,29)6;/h11-12,14-15,19,23,26,28-29,32-33H,7-10,13,16-18,20H2,1-6H3,(H,34,35,36);/q;+1/p-1/b21-11+;/t23-,26+,28-,29?,31-;/m1./s1 |
| InChIKey | MWESFEYZPAHLCJ-YSBMTCRSSA-M |
| Mol Weight | 570.8 g/mol |
| Molecular Formula | C31H47NaO6S |
| Exact Mass | 570.299105 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4MnA92vtNGv |
|---|---|
| Name | COSCINOSULFATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H47NaO6S |
| InChI | InChI=1S/C31H48O6S.Na/c1-21(11-13-24-19-25(32)14-15-27(24)33)9-7-10-23(3)28(37-38(34,35)36)20-26-22(2)12-16-29-30(4,5)17-8-18-31(26,29)6;/h11-12,14-15,19,23,26,28-29,32-33H,7-10,13,16-18,20H2,1-6H3,(H,34,35,36);/q;+1/p-1/b21-11+;/t23-,26+,28-,29?,31-;/m1./s1 |
| InChIKey | MWESFEYZPAHLCJ-YSBMTCRSSA-M |
| Literature Reference Author | A.LOUKACI,I.L.SAOUT,M.SAMADI,S.LECLERC,E.DAMIENS,L.MEIJER,C. DEBITUS,M.GUYOT |
| Literature Reference Citation | BIOORG.MED.CHEM.,9,3049(2001) |
| Literature Reference DOI | 10.1016/S0968-0896(01)00208-5 |
| Molecular Weight | 570.760 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMS22251 |