| SpectraBase Compound ID | FIwBH3NZKDa |
|---|---|
| InChI | InChI=1S/C35H44N8O8S4/c1-16(2)10-20-34-40-22(12-52-34)28(46)38-25-15-55-54-14-24(30(48)42-26(17(3)44)32(50)36-20)39-29(47)23-13-53-35(41-23)21(11-19-8-6-5-7-9-19)37-33(51)27(18(4)45)43-31(25)49/h5-9,12-13,16-18,20-21,24-27,44-45H,10-11,14-15H2,1-4H3,(H,36,50)(H,37,51)(H,38,46)(H,39,47)(H,42,48)(H,43,49)/t17-,18-,20-,21+,24?,25?,26-,27-/m0/s1 |
| InChIKey | NLVXWJPLNQGFEL-KTYSUPCFSA-N |
| Mol Weight | 833.0 g/mol |
| Molecular Formula | C35H44N8O8S4 |
| Exact Mass | 832.216495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 54Qtq28ltIo |
|---|---|
| Name | ULITHIACYClAMIDE_E |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H44N8O8S4 |
| InChI | InChI=1S/C35H44N8O8S4/c1-16(2)10-20-34-40-22(12-52-34)28(46)38-25-15-55-54-14-24(30(48)42-26(17(3)44)32(50)36-20)39-29(47)23-13-53-35(41-23)21(11-19-8-6-5-7-9-19)37-33(51)27(18(4)45)43-31(25)49/h5-9,12-13,16-18,20-21,24-27,44-45H,10-11,14-15H2,1-4H3,(H,36,50)(H,37,51)(H,38,46)(H,39,47)(H,42,48)(H,43,49)/t17-,18-,20-,21+,24?,25?,26-,27-/m0/s1 |
| InChIKey | NLVXWJPLNQGFEL-KTYSUPCFSA-N |
| Literature Reference Author | X.FU,T.DO,F.J.SCHMITZ,V.ANDRUSEVICH,M.H.ENGEL |
| Literature Reference Citation | J.NAT.PROD.,61,1547(1998) |
| Literature Reference DOI | 10.1021/np9802872 |
| Molecular Weight | 833.023 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ931 |