| SpectraBase Compound ID | 5bII12Kuq5G |
|---|---|
| InChI | InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,13-17,21-22H,4-5,7-8,10-12H2,1-3H3 |
| InChIKey | UMCBDWHORFFLCD-UHFFFAOYSA-N |
| Mol Weight | 304.5 g/mol |
| Molecular Formula | C20H32O2 |
| Exact Mass | 304.24023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 61UKhPmbRvj |
|---|---|
| Name | Epimetendiol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.240230268 u |
| Formula | C20H32O2 |
| InChI | InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,13-17,21-22H,4-5,7-8,10-12H2,1-3H3 |
| InChIKey | UMCBDWHORFFLCD-UHFFFAOYSA-N |
| Molecular Weight | 304.474 g/mol |
| SMILES | CC12C3C(C4C(CC3)(C)C(C)(O)CC4)CCC2CC(C=C1)O |