Molecule
![Molecular Image]()
13C nuclear magnetic resonance spectroscopy (13C NMR)
1H nuclear magnetic resonance spectroscopy (1H NMR)
infrared absorption spectroscopy (IR)
mass spectrometry (MS)
(1S,2S,4R,6S,8S,11R,12S,16S)-2,16-dimethyl-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadecan-15-one
Chemical Information
| InChI | InChI=1S/C19H28O2/c1-18-8-7-14-12(13(18)5-6-17(18)20)4-3-11-9-15-16(21-15)10-19(11,14)2/h11-16H,3-10H2,1-2H3/t11-,12-,13-,14-,15-,16+,18-,19-/m0/s1 |
|---|---|
| SMILES | O=C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C[C@H]1O[C@H]1C2 |
| InChI Key | WPLCXMVUVAWRQC-GPFHPJNKSA-N |
| Exact Mass | 288.424 g/mol |
4 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol7486 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL2058268 | chembl |
| 6817294 | surechembl |
| 13686727 | pubchem |
| 50388395 | bindingdb |
| The data in this table is sourced from UniChem at EBI. | |