| SpectraBase Compound ID | 6SlAmE8pCDd |
|---|---|
| InChI | InChI=1S/C29H41N7O4S4/c1-14(2)21-28-33-17(13-44-28)23(37)30-16(8-10-41-5)26-31-18(11-42-26)25(39)35-22(15(3)4)29(40)36-9-6-7-20(36)27-32-19(12-43-27)24(38)34-21/h13-16,18-22H,6-12H2,1-5H3,(H,30,37)(H,34,38)(H,35,39)/t16-,18?,19-,20?,21?,22-/m0/s1 |
| InChIKey | GALKRPSQRJNMSL-NJGMVXKFSA-N |
| Mol Weight | 679.9 g/mol |
| Molecular Formula | C29H41N7O4S4 |
| Exact Mass | 679.210288 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H3yQpROVTDp |
|---|---|
| Name | Mayotamide B |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 679.210287520 u |
| Formula | C29H41N7O4S4 |
| InChI | InChI=1S/C29H41N7O4S4/c1-14(2)21-28-33-17(13-44-28)23(37)30-16(8-10-41-5)26-31-18(11-42-26)25(39)35-22(15(3)4)29(40)36-9-6-7-20(36)27-32-19(12-43-27)24(38)34-21/h13-16,18-22H,6-12H2,1-5H3,(H,30,37)(H,34,38)(H,35,39)/t16-,18?,19-,20?,21?,22-/m0/s1 |
| InChIKey | GALKRPSQRJNMSL-NJGMVXKFSA-N |
| Molecular Weight | 679.932 g/mol |
| SMILES | C1=2N=C(C(NC([C@]3(N=C(C4N(CCC4)C([C@@](NC(C4N=C([C@@](NC1=O)(CCSC)[H])SC4)=O)(C(C)C)[H])=O)SC3)[H])=O)C(C)C)SC2 |