| SpectraBase Compound ID | 8yyUAPNyVOG |
|---|---|
| InChI | InChI=1S/C34H41ClN2O7/c1-21(2)17-30-34(42)43-29(22(3)13-14-24-9-6-5-7-10-24)11-8-12-31(39)37-27(19-25-15-16-28(38)26(35)18-25)32(40)36-20-23(4)33(41)44-30/h5-10,12-16,18,21-23,27,29-30,38H,11,17,19-20H2,1-4H3,(H,36,40)(H,37,39)/b12-8+,14-13+/t22?,23-,27-,29+,30+/m1/s1 |
| InChIKey | XUZKJXAKKMKMBV-MVJGRULKSA-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 | JonlXUr1XN5 |
|---|---|
| Name | Cryptophycin-17 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H41ClN2O7 |
| InChI | InChI=1S/C34H41ClN2O7/c1-21(2)17-30-34(42)43-29(22(3)13-14-24-9-6-5-7-10-24)11-8-12-31(39)37-27(19-25-15-16-28(38)26(35)18-25)32(40)36-20-23(4)33(41)44-30/h5-10,12-16,18,21-23,27,29-30,38H,11,17,19-20H2,1-4H3,(H,36,40)(H,37,39)/b12-8+,14-13+/t22?,23-,27-,29+,30+/m1/s1 |
| InChIKey | XUZKJXAKKMKMBV-MVJGRULKSA-N |
| Molecular Weight | 625.162 g/mol |
| SMILES | N1C(\C=C\C[C@](OC([C@@](OC([C@@](CNC([C@]1(Cc1ccc(c(c1)Cl)O)[H])=O)(C)[H])=O)(CC(C)C)[H])=O)(C(\C=C\c1ccccc1)C)[H])=O |
| SPLASH | splash10-0002-0309300000-1186f2f854127e202242 |
| Source of Spectrum | C-117-12043-15 |
| Synonyms | (3S,6R,10R,16S)-10-(3-chloro-4-hydroxybenzyl)-3-isobutyl-6-methyl-16-[(2E)-1-methyl-3-phenyl-2-propenyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone |
| Wiley ID | 759274 |