Products 210108-87-5
CAS 210108-87-5 is the registry number for Jatrophane 3. Offered by: Biosynth, MedChemExpress. Available pack sizes: 10mg, 5mg, 25mg, 50mg, Get quote.
[(1R,2R,3aR,4S,5S,6Z,9S,10S,11S,13R,13aS)-2,4,13-triacetyloxy-1-benzoyloxy-3a,10-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-11-(2-methylpropanoyloxy)-3,4,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-9-yl] pyridine-3-carboxylate (CAS 210108-87-5) is a chemical compound with the molecular formula C43H53NO14 and a molecular weight of 807.9 g/mol. IUPAC name: [(1R,2R,3aR,4S,5S,6Z,9S,10S,11S,13R,13aS)-2,4,13-triacetyloxy-1-benzoyloxy-3a,10-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-11-(2-methylpropanoyloxy)-3,4,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-9-yl] pyridine-3-carboxylate. InChIKey: HCOFSOQJSKXVMH-QBPFDXHJSA-N.
| Molecular formula | C43H53NO14 |
|---|---|
| Molecular weight | 807.9 g/mol |
| IUPAC name | [(1R,2R,3aR,4S,5S,6Z,9S,10S,11S,13R,13aS)-2,4,13-triacetyloxy-1-benzoyloxy-3a,10-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-11-(2-methylpropanoyloxy)-3,4,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-9-yl] pyridine-3-carboxylate |
| InChIKey | HCOFSOQJSKXVMH-QBPFDXHJSA-N |
| SMILES | C[C@H]1/C=C\C([C@@H]([C@@H]([C@H](C(=C)[C@@H]([C@H]2[C@H]([C@](C[C@@]2([C@H]1OC(=O)C)O)(C)OC(=O)C)OC(=O)C3=CC=CC=C3)OC(=O)C)OC(=O)C(C)C)O)OC(=O)C4=CN=CC=C4)(C)C |
Computed by PubChem (NCBI)
Synonyms:
Jatrophane 3