| SpectraBase Compound ID | BZnprEzJc7C |
|---|---|
| InChI | InChI=1S/C35H43ClN2O8/c1-20(2)16-29-35(42)44-27(22(4)31-32(46-31)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(40)37-19-21(3)34(41)45-29)18-23-14-15-28(43-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32H,12,16,18-19H2,1-5H3,(H,37,40)(H,38,39)/b13-9+/t21-,22+,26-,27+,29+,31+,32-/m1/s1 |
| InChIKey | PSNOPSMXOBPNNV-OFWIHYRESA-N |
| Mol Weight | 655.2 g/mol |
| Molecular Formula | C35H43ClN2O8 |
| Exact Mass | 654.270794 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CZ1HSZGbCJT |
|---|---|
| Name | Cryptophycin-38 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H43ClN2O8 |
| InChI | InChI=1S/C35H43ClN2O8/c1-20(2)16-29-35(42)44-27(22(4)31-32(46-31)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(40)37-19-21(3)34(41)45-29)18-23-14-15-28(43-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32H,12,16,18-19H2,1-5H3,(H,37,40)(H,38,39)/b13-9+/t21-,22+,26-,27+,29+,31+,32-/m1/s1 |
| InChIKey | PSNOPSMXOBPNNV-OFWIHYRESA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0499665 |
| Molecular Weight | 655.188 g/mol |
| Reported Formula | C35H4335ClN2O8 |
| SMILES | N1C([C@@](Cc2cc(Cl)c(OC)cc2)(NC(=O)\C=C\C[C@@]([C@@]([C@@]2(O[C@@]2(c2ccccc2)[H])[H])(C)[H])(OC(=O)[C@](CC(C)C)(OC(=O)[C@](C)(C1)[H])[H])[H])[H])=O |
| SPLASH | splash10-0007-4920100000-abe25c5b501a8e46d4fe |
| Source of Spectrum | G4-67-1406-2 |
| Wiley ID | 1881853 |