2-((8S,10S,13S,14S)-10,13-Dimethyl-3-oxo-6,7,8,10,12,13,14,15-octahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl methanesulfonate (Prednisolone Impurity), 98%

cas: 111668-12-3 — see every product listed under this CAS number, including other names

2-((8S,10S,13S,14S)-10,13-Dimethyl-3-oxo-6,7,8,10,12,13,14,15-octahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl methanesulfonate (Prednisolone Impurity), 98% (CAS 111668-12-3) is a chemical reagent available from Chemat. Available pack sizes: 10mg. Offered by: Chemat.

• 2D
• 3D

[2-[(8S,10S,13S,14S)-10,13-dimethyl-3-oxo-6,7,8,12,14,15-hexahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] methanesulfonate (CAS 111668-12-3) is a chemical compound with the molecular formula C22H26O5S and a molecular weight of 402.5 g/mol. IUPAC name: [2-[(8S,10S,13S,14S)-10,13-dimethyl-3-oxo-6,7,8,12,14,15-hexahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] methanesulfonate. InChIKey: RMZVFLUEBOKBLL-FHQLIMNDSA-N.

Identity

Molecular formula	C22H26O5S
Molecular weight	402.5 g/mol
IUPAC name	[2-[(8S,10S,13S,14S)-10,13-dimethyl-3-oxo-6,7,8,12,14,15-hexahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] methanesulfonate
InChIKey	RMZVFLUEBOKBLL-FHQLIMNDSA-N
SMILES	C[C@]12CC=C3[C@H]([C@@H]1CC=C2C(=O)COS(=O)(=O)C)CCC4=CC(=O)C=C[C@@]43C

Computed by PubChem (NCBI)

Isomers (same molecular formula)

cyclohexyl 3-(benzenesulfonyl)-3-(2-methoxyphenyl)propanoate C₂₂H₂₆O₅S

cyclohexyl 3-(4-methoxyphenyl)sulfonyl-3-phenylpropanoate C₂₂H₂₆O₅S

cyclohexyl 3-(benzenesulfonyl)-3-(4-methoxyphenyl)propanoate C₂₂H₂₆O₅S

(4aR,6S,7R,8R,8aR)-6-ethylsulfanyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol C₂₂H₂₆O₅S

Also listed as

2-((8S,10S,13S,14S)-10,13-Dimethyl-3-oxo-6,7,8,10,12,13,14,15-octahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl methanesulfonate, Prednisolone Impurity, 98% Fluorochem CAS 111668-12-3