| SpectraBase Compound ID | 2J1BQFHcZvG |
|---|---|
| InChI | InChI=1S/C35H42N8O7S4/c1-16(2)10-20-34-40-23(13-51-34)29(46)39-25-15-54-53-14-24(30(47)42-26(17(3)44)31(48)36-20)38-28(45)22-12-52-35(41-22)21(11-19-8-6-5-7-9-19)37-32(49)27-18(4)50-33(25)43-27/h5-9,12-13,16-18,20-21,24-27,44H,10-11,14-15H2,1-4H3,(H,36,48)(H,37,49)(H,38,45)(H,39,46)(H,42,47)/t17-,18?,20+,21+,24?,25?,26-,27-/m0/s1 |
| InChIKey | PWPRWPDNHHLZPB-DCSVOJPDSA-N |
| Mol Weight | 815.0 g/mol |
| Molecular Formula | C35H42N8O7S4 |
| Exact Mass | 814.20593 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GjrAPxhbzXf |
|---|---|
| Name | ULITHIACYClAMIDE_F |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H42N8O7S4 |
| InChI | InChI=1S/C35H42N8O7S4/c1-16(2)10-20-34-40-23(13-51-34)29(46)39-25-15-54-53-14-24(30(47)42-26(17(3)44)31(48)36-20)38-28(45)22-12-52-35(41-22)21(11-19-8-6-5-7-9-19)37-32(49)27-18(4)50-33(25)43-27/h5-9,12-13,16-18,20-21,24-27,44H,10-11,14-15H2,1-4H3,(H,36,48)(H,37,49)(H,38,45)(H,39,46)(H,42,47)/t17-,18?,20+,21+,24?,25?,26-,27-/m0/s1 |
| InChIKey | PWPRWPDNHHLZPB-DCSVOJPDSA-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 | 815.008 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ932 |