Products 105620-21-1
CAS 105620-21-1 appears in our catalog under these names: Preergocalciferol, 3,5-dinitrobenzoate, Ergosterol Impurity 6. Offered by: Chemat Brand. Available pack sizes: on request.
[(1S)-3-[(Z)-2-[(1R,3aR,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-yl] 3,5-dinitrobenzoate (CAS 105620-21-1) is a chemical compound with the molecular formula C35H46N2O6 and a molecular weight of 590.7 g/mol. IUPAC name: [(1S)-3-[(Z)-2-[(1R,3aR,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-yl] 3,5-dinitrobenzoate. InChIKey: VCTKMTNGMATNBJ-LMMXGKHPSA-N.
| Molecular formula | C35H46N2O6 |
|---|---|
| Molecular weight | 590.7 g/mol |
| IUPAC name | [(1S)-3-[(Z)-2-[(1R,3aR,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-yl] 3,5-dinitrobenzoate |
| InChIKey | VCTKMTNGMATNBJ-LMMXGKHPSA-N |
| SMILES | CC1=C(C[C@H](CC1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])/C=C\C3=CCC[C@]4([C@H]3CC[C@@H]4[C@H](C)/C=C/[C@H](C)C(C)C)C |
Computed by PubChem (NCBI)
Synonyms:
Preergocalciferol, 3,5-Dinitrobenzoate