CAS 63139-16-2 appears in our catalog under these names: Withanolide S, 2-(1-Hydroxy-1-(5,6,14,17-tetrahydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta(A)phenanthren-17-yl)ethyl)-4 ,5-dimethyl-2,3-dihydropyran-6-one, Withanolide S, 98.0%. Offered by: GLPBio, Biosynth, MedChemExpress. Available pack sizes: 5mg, 25mg, 10mg, 50mg, 5 mg, 1 mg.
(2R)-2-[(1S)-1-hydroxy-1-[(5R,6R,8R,9S,10R,13S,14R,17S)-5,6,14,17-tetrahydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one (CAS 63139-16-2) is a chemical compound with the molecular formula C28H40O8 and a molecular weight of 504.6 g/mol. IUPAC name: (2R)-2-[(1S)-1-hydroxy-1-[(5R,6R,8R,9S,10R,13S,14R,17S)-5,6,14,17-tetrahydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one. InChIKey: PQZVBIJEPVKNOZ-PCLZMVHQSA-N.
| Molecular formula | C28H40O8 |
|---|---|
| Molecular weight | 504.6 g/mol |
| IUPAC name | (2R)-2-[(1S)-1-hydroxy-1-[(5R,6R,8R,9S,10R,13S,14R,17S)-5,6,14,17-tetrahydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one |
| InChIKey | PQZVBIJEPVKNOZ-PCLZMVHQSA-N |
| SMILES | CC1=C(C(=O)O[C@H](C1)[C@@](C)([C@@]2(CC[C@@]3([C@@]2(CC[C@H]4[C@H]3C[C@H]([C@@]5([C@@]4(C(=O)C=CC5)C)O)O)C)O)O)O)C |
Computed by PubChem (NCBI)