![5-(Hydroxy)-2,3,6-trimethyl-2-[2-(5-oxodihydrofuran-3-yl)ethyl]bicyclo[4.4.0]decan-7-carboxylic acid](/api/spectrum/HUOh2ByfpiH/structure.png?h=300&w=458 "5-(Hydroxy)-2,3,6-trimethyl-2-[2-(5-oxodihydrofuran-3-yl)ethyl]bicyclo[4.4.0]decan-7-carboxylic acid")
| SpectraBase Compound ID | LsKV2kOQJnc |
|---|---|
| InChI | InChI=1S/C20H30O5/c1-12-9-16(21)20(3)14(18(23)24)5-4-6-15(20)19(12,2)8-7-13-10-17(22)25-11-13/h10,12,14-16,21H,4-9,11H2,1-3H3,(H,23,24)/t12-,14-,15-,16+,19+,20-/m1/s1 |
| InChIKey | WNMPYAFMEIPUEI-YTXRDGOUSA-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 | HUOh2ByfpiH |
|---|---|
| Name | 5-(Hydroxy)-2,3,6-trimethyl-2-[2-(5-oxodihydrofuran-3-yl)ethyl]bicyclo[4.4.0]decan-7-carboxylic acid |
| 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/c1-12-9-16(21)20(3)14(18(23)24)5-4-6-15(20)19(12,2)8-7-13-10-17(22)25-11-13/h10,12,14-16,21H,4-9,11H2,1-3H3,(H,23,24)/t12-,14-,15-,16+,19+,20-/m1/s1 |
| InChIKey | WNMPYAFMEIPUEI-YTXRDGOUSA-N |
| Molecular Weight | 350.455 g/mol |
| SMILES | [C@]12([C@@]([C@](CCC3=CC(=O)OC3)(C)[C@@](C[C@@]1(O)[H])(C)[H])(CCC[C@@]2(C(=O)O)[H])[H])C |