| SpectraBase Compound ID | JL9qavZZ4CU |
|---|---|
| InChI | InChI=1S/C35H44BrClN2O8/c1-20(2)16-29-35(44)46-27(22(4)32(41)31(36)24-10-7-6-8-11-24)12-9-13-30(40)39-26(33(42)38-19-21(3)34(43)47-29)18-23-14-15-28(45-5)25(37)17-23/h6-11,13-15,17,20-22,26-27,29,31-32,41H,12,16,18-19H2,1-5H3,(H,38,42)(H,39,40)/b13-9+/t21-,22+,26-,27?,29+,31+,32+/m1/s1 |
| InChIKey | HFOAOOZWWATFPH-RXDIYCRZSA-N |
| Mol Weight | 736.1 g/mol |
| Molecular Formula | C35H44BrClN2O8 |
| Exact Mass | 734.196957 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HOHJDhAE9Lc |
|---|---|
| Name | Cryptophycin-25 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H44BrClN2O8 |
| InChI | InChI=1S/C35H44BrClN2O8/c1-20(2)16-29-35(44)46-27(22(4)32(41)31(36)24-10-7-6-8-11-24)12-9-13-30(40)39-26(33(42)38-19-21(3)34(43)47-29)18-23-14-15-28(45-5)25(37)17-23/h6-11,13-15,17,20-22,26-27,29,31-32,41H,12,16,18-19H2,1-5H3,(H,38,42)(H,39,40)/b13-9+/t21-,22+,26-,27?,29+,31+,32+/m1/s1 |
| InChIKey | HFOAOOZWWATFPH-RXDIYCRZSA-N |
| Molecular Weight | 736.100 g/mol |
| SMILES | O[C@@]([C@](C1C\C=C\C(N[C@@](C(NC[C@](C(O[C@](C(O1)=O)(CC(C)C)[H])=O)(C)[H])=O)(Cc1cc(Cl)c(cc1)OC)[H])=O)(C)[H])([C@](c1ccccc1)(Br)[H])[H] |
| SPLASH | splash10-0006-9100000000-4bf1f900ab1033f341ac |
| Source of Spectrum | C-117-12048-41 |
| Synonyms | (3S,6R,10R)-16-[(1R,2S,3S)-3-bromo-2-hydroxy-1-methyl-3-phenylpropyl]-10-(3-chloro-4-methoxybenzyl)-3-isobutyl-6-methyl-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone |
| Wiley ID | 759260 |