| SpectraBase Compound ID | DjjsIXjuu1L |
|---|---|
| InChI | InChI=1S/C34H41ClN2O7/c1-5-10-30-34(41)43-28(22(2)15-16-24-11-7-6-8-12-24)13-9-14-31(38)37-27(32(39)36-21-23(3)33(40)44-30)20-25-17-18-29(42-4)26(35)19-25/h6-9,11-12,14-19,22-23,27-28,30H,5,10,13,20-21H2,1-4H3,(H,36,39)(H,37,38)/b14-9+,16-15+/t22?,23-,27-,28+,30+/m1/s1 |
| InChIKey | YEERJYOOOZZKJG-AKGDQZCYSA-N |
| Mol Weight | 625.2 g/mol |
| Molecular Formula | C34H41ClN2O7 |
| Exact Mass | 624.260229 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ls7pJ6mX3Cq |
|---|---|
| Name | Cryptophycin-49 |
| Alternate Name(s) | (3S,6R,10R,16S)-10-(3-chloro-4-methoxybenzyl)-6-methyl-16-[(2E)-1-methyl-3-phenyl-2-propenyl]-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 | C34H41ClN2O7 |
| InChI | InChI=1S/C34H41ClN2O7/c1-5-10-30-34(41)43-28(22(2)15-16-24-11-7-6-8-12-24)13-9-14-31(38)37-27(32(39)36-21-23(3)33(40)44-30)20-25-17-18-29(42-4)26(35)19-25/h6-9,11-12,14-19,22-23,27-28,30H,5,10,13,20-21H2,1-4H3,(H,36,39)(H,37,38)/b14-9+,16-15+/t22?,23-,27-,28+,30+/m1/s1 |
| InChIKey | YEERJYOOOZZKJG-AKGDQZCYSA-N |
| Molecular Weight | 625.162 g/mol |
| SMILES | N1C(\C=C\C[C@](OC([C@@](OC([C@@](CNC([C@]1(Cc1cc(Cl)c(cc1)OC)[H])=O)(C)[H])=O)(CCC)[H])=O)(C(\C=C\c1ccccc1)C)[H])=O |
| SPLASH | splash10-002e-9773100000-3cd65d06798f63c1b087 |
| Source of Spectrum | C-117-12044-23 |
| Wiley ID | 759266 |