| SpectraBase Compound ID | Eoo8ev7dvm6 |
|---|---|
| InChI | InChI=1S/C34H41ClN2O8/c1-20(2)17-28-34(41)44-26(21(3)31-32(45-31)23-9-6-5-7-10-23)11-8-12-29(38)37-25(33(40)36-16-15-30(39)43-28)19-22-13-14-27(42-4)24(35)18-22/h5-10,12-14,18,20-21,25-26,28,31-32H,11,15-17,19H2,1-4H3,(H,36,40)(H,37,38)/b12-8+/t21-,25-,26+,28+,31-,32+/m1/s1 |
| InChIKey | ATKRDMWWPRZLSY-MCTRNWQUSA-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 | 3S1HOT2pAM2 |
|---|---|
| Name | Cryptophycin-21 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H41ClN2O8 |
| InChI | InChI=1S/C34H41ClN2O8/c1-20(2)17-28-34(41)44-26(21(3)31-32(45-31)23-9-6-5-7-10-23)11-8-12-29(38)37-25(33(40)36-16-15-30(39)43-28)19-22-13-14-27(42-4)24(35)18-22/h5-10,12-14,18,20-21,25-26,28,31-32H,11,15-17,19H2,1-4H3,(H,36,40)(H,37,38)/b12-8+/t21-,25-,26+,28+,31-,32+/m1/s1 |
| InChIKey | ATKRDMWWPRZLSY-MCTRNWQUSA-N |
| Molecular Weight | 641.161 g/mol |
| SMILES | N1CCC(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)(CC(C)C)[H])=O |
| SPLASH | splash10-054k-0951001000-4652422a1339855d02d6 |
| Source of Spectrum | C-117-12044-18 |
| Synonyms | (3S,10R,16S)-10-(3-chloro-4-methoxybenzyl)-3-isobutyl-16-{(1R)-1-[(2R,3S)-3-phenyloxiranyl]ethyl}-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone |
| Wiley ID | 759271 |