| SpectraBase Compound ID | 7iqhkqD4UCK |
|---|---|
| InChI | InChI=1S/C15H20O4/c1-7-6-10(16)11-8(2)14(17)19-13(11)12-9(7)4-5-15(12,3)18/h9-13,16,18H,1-2,4-6H2,3H3/t9-,10+,11?,12-,13-,15+/m0/s1 |
| InChIKey | IWARJOCVOUEIMH-UJAXEYECSA-N |
| Mol Weight | 264.32 g/mol |
| Molecular Formula | C15H20O4 |
| Exact Mass | 264.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | kjZJSse2tn |
|---|---|
| Name | Vestenolide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.136159120 u |
| Formula | C15H20O4 |
| InChI | InChI=1S/C15H20O4/c1-7-6-10(16)11-8(2)14(17)19-13(11)12-9(7)4-5-15(12,3)18/h9-13,16,18H,1-2,4-6H2,3H3/t9-,10+,11?,12-,13-,15+/m0/s1 |
| InChIKey | IWARJOCVOUEIMH-UJAXEYECSA-N |
| Molecular Weight | 264.321 g/mol |
| SMILES | [C@@]12(C(C(=C)C(O2)=O)[C@@](CC([C@]2([C@@]1([C@@](CC2)(O)C)[H])[H])=C)(O)[H])[H] |