| SpectraBase Compound ID | HhBFf1xzfAi |
|---|---|
| InChI | InChI=1S/C35H40N8O6S4/c1-16(2)10-20-34-40-22(12-50-34)28(44)38-25-15-53-52-14-24(32-42-26(17(3)48-32)30(46)36-20)39-29(45)23-13-51-35(41-23)21(11-19-8-6-5-7-9-19)37-31(47)27-18(4)49-33(25)43-27/h5-9,12-13,16-18,20-21,24-27H,10-11,14-15H2,1-4H3,(H,36,46)(H,37,47)(H,38,44)(H,39,45)/t17-,18-,20?,21?,24?,25?,26+,27+/m1/s1 |
| InChIKey | ALXRBWFBPYGRNS-XKLTWTKMSA-N |
| Mol Weight | 797.0 g/mol |
| Molecular Formula | C35H40N8O6S4 |
| Exact Mass | 796.195366 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HXa8KsJghf7 |
|---|---|
| Name | Ulithiacyclamide B |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H40N8O6S4 |
| InChI | InChI=1S/C35H40N8O6S4/c1-16(2)10-20-34-40-22(12-50-34)28(44)38-25-15-53-52-14-24(32-42-26(17(3)48-32)30(46)36-20)39-29(45)23-13-51-35(41-23)21(11-19-8-6-5-7-9-19)37-31(47)27-18(4)49-33(25)43-27/h5-9,12-13,16-18,20-21,24-27H,10-11,14-15H2,1-4H3,(H,36,46)(H,37,47)(H,38,44)(H,39,45)/t17-,18-,20?,21?,24?,25?,26+,27+/m1/s1 |
| InChIKey | ALXRBWFBPYGRNS-XKLTWTKMSA-N |
| Molecular Weight | 796.995 g/mol |
| SMILES | N1C2C3=N[C@](C(NC(c4nc(C(=O)NC(CSSC2)C2=N[C@@]([C@](O2)(C)[H])(C(NC(c2nc(C1=O)cs2)CC(C)C)=O)[H])cs4)Cc1ccccc1)=O)([C@](O3)(C)[H])[H] |
| SPLASH | splash10-001i-0000001900-440a7118213b20cd0176 |
| Source of Spectrum | X2-52-737-4 |
| Wiley ID | 1603147 |