| SpectraBase Compound ID | AjCd8O9FAmH |
|---|---|
| InChI | InChI=1S/C31H48O6S.C3H11N3/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;1-6(2)3(4)5/h11,14-15,19,23,26,28-29,32-33H,2,7-10,12-13,16-18,20H2,1,3-6H3,(H,34,35,36);3H,4-5H2,1-2H3/p-1/b21-11+;/t23-,26+,28-,29?,31-;/m1./s1 |
| InChIKey | RFFUCPISHRGUBN-YSBMTCRSSA-M |
| Mol Weight | 636.9 g/mol |
| Molecular Formula | C34H58N3O6S |
| Exact Mass | 636.404633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8gpJwEg49DE |
|---|---|
| Name | RFFUCPISHRGUBN-YSBMTCRSSA-M |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H58N3O6S |
| InChI | InChI=1S/C31H48O6S.C3H11N3/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;1-6(2)3(4)5/h11,14-15,19,23,26,28-29,32-33H,2,7-10,12-13,16-18,20H2,1,3-6H3,(H,34,35,36);3H,4-5H2,1-2H3/p-1/b21-11+;/t23-,26+,28-,29?,31-;/m1./s1 |
| InChIKey | RFFUCPISHRGUBN-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 | 636.911 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMS22253 |