| SpectraBase Compound ID | BVqaFVrP5fT |
|---|---|
| InChI | InChI=1S/C20H30O5/c1-12-14(22)15(23)16-17(2,3)7-5-8-18(16,4)20(12)11-10-19(25-20)9-6-13(21)24-19/h12,14,16,22H,5-11H2,1-4H3/t12-,14-,16+,18+,19+,20-/m1/s1 |
| InChIKey | APVYYFPMYGWDCH-CZCVWDQASA-N |
| Mol Weight | 350.46 g/mol |
| Molecular Formula | C20H30O5 |
| Exact Mass | 350.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H8jeIdLhuAZ |
|---|---|
| Name | Leopersin D |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.209324061 u |
| Formula | C20H30O5 |
| InChI | InChI=1S/C20H30O5/c1-12-14(22)15(23)16-17(2,3)7-5-8-18(16,4)20(12)11-10-19(25-20)9-6-13(21)24-19/h12,14,16,22H,5-11H2,1-4H3/t12-,14-,16+,18+,19+,20-/m1/s1 |
| InChIKey | APVYYFPMYGWDCH-CZCVWDQASA-N |
| Molecular Weight | 350.455 g/mol |
| SMILES | [C@]12([C@@]3([C@@](C(C)(C)CCC3)([H])C([C@@]([C@]1(C)[H])(O)[H])=O)C)O[C@]1(OC(=O)CC1)CC2 |