17-Keto Fulvestrant

cas: 403656-89-3 — see every product listed under this CAS number, including other names

17-Keto Fulvestrant (CAS 403656-89-3) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULF317
cas403656-89-3
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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categoryChemicals
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Structural formula: {0} (CAS {1})

(7R,8R,9S,13S,14S)-3-hydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one (CAS 403656-89-3) is a chemical compound with the molecular formula C32H45F5O3S and a molecular weight of 604.8 g/mol. IUPAC name: (7R,8R,9S,13S,14S)-3-hydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one. InChIKey: KQDQOVMMZCHGQS-YCCWCITDSA-N.

Identity
Molecular formulaC32H45F5O3S
Molecular weight604.8 g/mol
IUPAC name(7R,8R,9S,13S,14S)-3-hydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
InChIKeyKQDQOVMMZCHGQS-YCCWCITDSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F

Computed by PubChem (NCBI)

Synonyms: Fulvestrant 17-ketone, 17-Keto Fulvestrant
Isomers (same molecular formula)
(8R,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol C32H45F5O3S
(7S,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl]-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one C32H45F5O3S

Also listed as

Fulvestrant 17-Ketone, >95% (HPLC) TRC CAS 403656-89-3