Diflorasone Impurity 4

cas: 50630-19-8 — see every product listed under this CAS number, including other names

Diflorasone Impurity 4 (CAS 50630-19-8) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULD151005
cas50630-19-8
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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Structural formula: {0} (CAS {1})

[(6S,8R,9S,10S,11R,13S,14S,16S,17S)-6,9-difluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] acetate (CAS 50630-19-8) is a chemical compound with the molecular formula C24H30F2O6 and a molecular weight of 452.5 g/mol. IUPAC name: [(6S,8R,9S,10S,11R,13S,14S,16S,17S)-6,9-difluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] acetate. InChIKey: KPAAFLZUAVPWNQ-DULNGIFPSA-N.

Identity
Molecular formulaC24H30F2O6
Molecular weight452.5 g/mol
IUPAC name[(6S,8R,9S,10S,11R,13S,14S,16S,17S)-6,9-difluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] acetate
InChIKeyKPAAFLZUAVPWNQ-DULNGIFPSA-N
SMILESC[C@H]1C[C@H]2[C@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@@]3([C@@H](C[C@@]2([C@@]1(C(=O)CO)OC(=O)C)C)O)F)C)F

Computed by PubChem (NCBI)

Synonyms: 17-O-Acetyl Diflorasone
Isomers (same molecular formula)
(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one C24H30F2O6
[2-[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C24H30F2O6
(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid C24H30F2O6
[2-[(6S,8S,9R,10S,11S,13S,14S,16S,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C24H30F2O6
(1S,2S,4R,8S,9S,11S,12R,13S,19R)-12,19-difluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one C24H30F2O6
(1S,8S,9S,11S,13S)-12,19-difluoro-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6,6-di((113C)methyl)-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one C24H30F2O6

Also listed as

17-O-Acetyl Diflorasone, >95% (HPLC) TRC CAS 50630-19-8