CAS 54082-42-7 is the registry number for Isocyasterone. Offered by: MedChemExpress. Available pack sizes: 5 mg, 10 mg, 1 mg.
(3R,4S,5R)-4-[(2R,3S)-2,3-dihydroxy-3-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-3,5-dimethyloxolan-2-one (CAS 54082-42-7) is a chemical compound with the molecular formula C29H44O8 and a molecular weight of 520.7 g/mol. IUPAC name: (3R,4S,5R)-4-[(2R,3S)-2,3-dihydroxy-3-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-3,5-dimethyloxolan-2-one. InChIKey: NEFYSBQJYCICOG-KBTANIATSA-N.
| Molecular formula | C29H44O8 |
|---|---|
| Molecular weight | 520.7 g/mol |
| IUPAC name | (3R,4S,5R)-4-[(2R,3S)-2,3-dihydroxy-3-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-3,5-dimethyloxolan-2-one |
| InChIKey | NEFYSBQJYCICOG-KBTANIATSA-N |
| SMILES | C[C@@H]1[C@@H]([C@H](OC1=O)C)C[C@H]([C@](C)([C@H]2CC[C@@]3([C@@]2(CC[C@H]4C3=CC(=O)[C@H]5[C@@]4(C[C@@H]([C@@H](C5)O)O)C)C)O)O)O |
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