| SpectraBase Compound ID | LgzMrcTQgWY |
|---|---|
| InChI | InChI=1S/C27H39N3O3/c1-8-27(6,13-9-12-26(4,5)33)20-10-11-21-22-18(15-28-23(20)22)14-19(16-31)29-25(32)24(17(2)3)30(21)7/h8-12,15,17,19,24,28,31,33H,1,13-14,16H2,2-7H3,(H,29,32)/b12-9+/t19-,24-,27-/m0/s1 |
| InChIKey | VMLLPMJDAXPWAA-PIKNDIPASA-N |
| Mol Weight | 453.6 g/mol |
| Molecular Formula | C27H39N3O3 |
| Exact Mass | 453.299142 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DySm0iyFu8j |
|---|---|
| Name | Lynbyatoxin C |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H39N3O3 |
| InChI | InChI=1S/C27H39N3O3/c1-8-27(6,13-9-12-26(4,5)33)20-10-11-21-22-18(15-28-23(20)22)14-19(16-31)29-25(32)24(17(2)3)30(21)7/h8-12,15,17,19,24,28,31,33H,1,13-14,16H2,2-7H3,(H,29,32)/b12-9+/t19-,24-,27-/m0/s1 |
| InChIKey | VMLLPMJDAXPWAA-PIKNDIPASA-N |
| Molecular Weight | 453.627 g/mol |
| SMILES | [nH]1cc2C[C@@](CO)(NC([C@@](N(c3c2c1c(cc3)[C@@](C=C)(C\C=C\C(O)(C)C)C)C)(C(C)C)[H])=O)[H] |
| SPLASH | splash10-0udr-0049700000-eff397bb28f38af32f54 |
| Source of Spectrum | X2-53-1596-6 |
| Wiley ID | 1603806 |