Products 6113-02-6
CAS 6113-02-6 appears in our catalog under these names: Ergosterol Impurity 5, 9β,10α-Ergosta-5,7,22-trien-3β-ol, 3,5-dinitrobenzoate. Offered by: Chemat Brand. Available pack sizes: on request.
[(3S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 3,5-dinitrobenzoate (CAS 6113-02-6) is a chemical compound with the molecular formula C35H46N2O6 and a molecular weight of 590.7 g/mol. IUPAC name: [(3S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 3,5-dinitrobenzoate. InChIKey: ZLVWWOPHWGBVTH-OORRKUCMSA-N.
| Molecular formula | C35H46N2O6 |
|---|---|
| Molecular weight | 590.7 g/mol |
| IUPAC name | [(3S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 3,5-dinitrobenzoate |
| InChIKey | ZLVWWOPHWGBVTH-OORRKUCMSA-N |
| SMILES | C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3C2=CC=C4[C@]3(CC[C@@H](C4)OC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-])C)C |
Computed by PubChem (NCBI)