| SpectraBase Compound ID | GrYohbfP12R |
|---|---|
| InChI | InChI=1S/C16H26O4/c1-10(2)5-6-12-15(3,20-12)14-13(18-4)11(17)7-8-16(14)9-19-16/h5,11-14,17H,6-9H2,1-4H3/t11-,12-,13-,14-,15+,16+/m1/s1 |
| InChIKey | CEVCTNCUIVEQOY-JQOWZUPLSA-N |
| Mol Weight | 282.38 g/mol |
| Molecular Formula | C16H26O4 |
| Exact Mass | 282.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FeppZaSFOqC |
|---|---|
| Name | Fumagillol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.183109313 u |
| Formula | C16H26O4 |
| InChI | InChI=1S/C16H26O4/c1-10(2)5-6-12-15(3,20-12)14-13(18-4)11(17)7-8-16(14)9-19-16/h5,11-14,17H,6-9H2,1-4H3/t11-,12-,13-,14-,15+,16+/m1/s1 |
| InChIKey | CEVCTNCUIVEQOY-JQOWZUPLSA-N |
| SMILES | C1O[C@]11[C@]([C@@]([C@@](CC1)(O)[H])(OC)[H])([C@]1(O[C@@]1(CC=C(C)C)[H])C)[H] |