| SpectraBase Compound ID | EFn4GvJdXRb |
|---|---|
| InChI | InChI=1S/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14-,16+,19+,20?,21-,22-,24?/m0/s1 |
| InChIKey | HESCAJZNRMSMJG-BOWMYVBZSA-N |
| Mol Weight | 493.7 g/mol |
| Molecular Formula | C26H39NO6S |
| Exact Mass | 493.249809 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | wq6qrrzYe |
|---|---|
| Name | Epothilone A .beta.-Epoxide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H39NO6S |
| InChI | InChI=1S/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14-,16+,19+,20?,21-,22-,24?/m0/s1 |
| InChIKey | HESCAJZNRMSMJG-BOWMYVBZSA-N |
| Molecular Weight | 493.659 g/mol |
| SMILES | OC1[C@](C(C([C@](CC(OC(C[C@@]2(O[C@@]2(CCC[C@@]1(C)[H])[H])[H])\C(=C\c1nc(C)sc1)C)=O)(O)[H])(C)C)=O)(C)[H] |
| SPLASH | splash10-0btc-9602000000-dc9770b5754129cdc6e8 |
| Source of Spectrum | QE-8-3755-1 |
| Wiley ID | 1557912 |