Molecule
![Molecular Image]()
13C nuclear magnetic resonance spectroscopy (13C NMR)
1H nuclear magnetic resonance spectroscopy (1H NMR)
infrared absorption spectroscopy (IR)
mass spectrometry (MS)
(1R,2S,5S,6S,14R,15S,16S)-14-methyl-2-propanoyl-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadec-9-en-11-one
Chemical Information
| InChI | InChI=1S/C22H30O3/c1-3-18(24)17-7-6-16-15-5-4-13-10-14(23)8-9-21(13,2)20(15)19-11-22(16,17)12-25-19/h10,15-17,19-20H,3-9,11-12H2,1-2H3/t15-,16-,17+,19-,20+,21-,22+/m0/s1 |
|---|---|
| SMILES | CCC(=O)[C@H]1CC[C@@H]2[C@]31CO[C@@H](C3)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C |
| InChI Key | GXJAVNYNUXSFHD-KMRSQDGUSA-N |
| Exact Mass | 342.472 g/mol |
4 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol4718 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 175646791 | pubchem |
| The data in this table is sourced from UniChem at EBI. | |