| SpectraBase Compound ID | 1IN0kRDHsFC |
|---|---|
| InChI | InChI=1S/C30H44BrNO4/c1-8-9-10-11-12-16-19-26(34)27(31)22(2)17-14-13-15-18-23(3)28(35)30(6,7)29(36)32-24(4)20-21-25(5)33/h10-18,24-26,28,33-35H,19-21H2,1-7H3,(H,32,36)/b11-10-,15-13-,16-12+,17-14+,23-18-,27-22- |
| InChIKey | AYSZLMHBQDIITN-VZNLWGDBSA-N |
| Mol Weight | 562.6 g/mol |
| Molecular Formula | C30H44BrNO4 |
| Exact Mass | 561.245372 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DEAcjR2VaaI |
|---|---|
| Name | Clathrynamide B |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H44BrNO4 |
| InChI | InChI=1S/C30H44BrNO4/c1-8-9-10-11-12-16-19-26(34)27(31)22(2)17-14-13-15-18-23(3)28(35)30(6,7)29(36)32-24(4)20-21-25(5)33/h10-18,24-26,28,33-35H,19-21H2,1-7H3,(H,32,36)/b11-10-,15-13-,16-12+,17-14+,23-18-,27-22- |
| InChIKey | AYSZLMHBQDIITN-VZNLWGDBSA-N |
| Molecular Weight | 562.589 g/mol |
| SMILES | N(C(C(C(\C(=C/C=C\C=C\C(=C\(C(O)C\C=C\C=C/C#CC)Br)C)C)O)(C)C)=O)C(CCC(O)C)C |
| SPLASH | splash10-0006-9500000000-906d86e7bc1a70ac69e6 |
| Source of Spectrum | AT-34-5938-2 |
| Synonyms | (4Z,6Z,8E,10Z,14E,16Z)-11-bromo-3,12-dihydroxy-N-(5-hydroxyhexan-2-yl)-2,2,4,10-tetramethyleicosa-4,6,8,10,14,16-hexaen-18-ynamide (4Z,6Z,8E,10Z,14E,16Z)-11-bromo-3,12-dihydroxy-N-(5-hydroxyhexan-2-yl)-2,2,4,10-tetramethylicosa-4,6,8,10,14,16-hexaen-18-ynamide (4Z,6Z,8E,10Z,14E,16Z)-11-bromo-3,12-dihydroxy-N-(4-hydroxy-1-methyl-pentyl)-2,2,4,10-tetramethyl-icosa-4,6,8,10,14,16-hexaen-18-ynamide (4Z,6Z,8E,10Z,14E,16Z)-11-bromanyl-2,2,4,10-tetramethyl-3,12-bis(oxidanyl)-N-(5-oxidanylhexan-2-yl)icosa-4,6,8,10,14,16-hexaen-18-ynamide |
| Wiley ID | 852625 |