Products 122587-84-2
CAS 122587-84-2 appears in our catalog under these names: Ajugamarin F 4, Ajugamarin F4. Offered by: GLPBio, Biosynth, MedChemExpress. Available pack sizes: 5mg, 10mg, 25mg, 50mg, Get quote.
[(1S)-2-[(1S,2R,4S,4aR,8aR)-4-acetyloxy-4a-(acetyloxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate (CAS 122587-84-2) is a chemical compound with the molecular formula C29H42O9 and a molecular weight of 534.6 g/mol. IUPAC name: [(1S)-2-[(1S,2R,4S,4aR,8aR)-4-acetyloxy-4a-(acetyloxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate. InChIKey: LJHYCABROUGORR-RHULUVNISA-N.
| Molecular formula | C29H42O9 |
|---|---|
| Molecular weight | 534.6 g/mol |
| IUPAC name | [(1S)-2-[(1S,2R,4S,4aR,8aR)-4-acetyloxy-4a-(acetyloxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate |
| InChIKey | LJHYCABROUGORR-RHULUVNISA-N |
| SMILES | CC[C@H](C)C(=O)O[C@@H](C[C@]1([C@@H](C[C@@H]([C@@]2([C@@H]1CCCC23CO3)COC(=O)C)OC(=O)C)C)C)C4=CC(=O)OC4 |
Computed by PubChem (NCBI)
Synonyms:
Ajugamarin F 4, Ajugamarin F4