| SpectraBase Compound ID | IzdoZTV4SG9 |
|---|---|
| InChI | InChI=1S/C34H41ClN2O8/c1-5-10-28-34(41)43-26(21(3)30-31(45-30)23-11-7-6-8-12-23)13-9-14-29(38)37-25(32(39)36-19-20(2)33(40)44-28)18-22-15-16-27(42-4)24(35)17-22/h6-9,11-12,14-17,20-21,25-26,28,30-31H,5,10,13,18-19H2,1-4H3,(H,36,39)(H,37,38)/b14-9+/t20-,21-,25-,26+,28+,30-,31+/m1/s1 |
| InChIKey | KBYSXVZAIWIWEC-MOZXWWOQSA-N |
| Mol Weight | 641.2 g/mol |
| Molecular Formula | C34H41ClN2O8 |
| Exact Mass | 640.255144 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7SHNPdreAei |
|---|---|
| Name | Cryptophycin-50 |
| Alternate Name(s) | (3S,6R,10R,16S)-10-(3-chloro-4-methoxybenzyl)-6-methyl-16-{(1R)-1-[(2R,3S)-3-phenyloxiranyl]ethyl}-3-propyl-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H41ClN2O8 |
| InChI | InChI=1S/C34H41ClN2O8/c1-5-10-28-34(41)43-26(21(3)30-31(45-30)23-11-7-6-8-12-23)13-9-14-29(38)37-25(32(39)36-19-20(2)33(40)44-28)18-22-15-16-27(42-4)24(35)17-22/h6-9,11-12,14-17,20-21,25-26,28,30-31H,5,10,13,18-19H2,1-4H3,(H,36,39)(H,37,38)/b14-9+/t20-,21-,25-,26+,28+,30-,31+/m1/s1 |
| InChIKey | KBYSXVZAIWIWEC-MOZXWWOQSA-N |
| Molecular Weight | 641.161 g/mol |
| SMILES | N1C[C@](C(O[C@](C(O[C@@](C\C=C\C(N[C@@](C1=O)(Cc1cc(Cl)c(cc1)OC)[H])=O)([C@]([C@]1(O[C@]1(c1ccccc1)[H])[H])(C)[H])[H])=O)(CCC)[H])=O)(C)[H] |
| SPLASH | splash10-0007-7920000000-08051e3e7824e177db19 |
| Source of Spectrum | C-117-12044-22 |
| Wiley ID | 759267 |