Fulvestrant Impurity 20

cas: 875573-64-1 — see every product listed under this CAS number, including other names

Fulvestrant Impurity 20 (CAS 875573-64-1) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULF3128
cas875573-64-1
sizeon request
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Structural formula: {0} (CAS {1})

[(7R,8R,9S,10R,13S,14S,17S)-7-(9-hydroxynonyl)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate (CAS 875573-64-1) is a chemical compound with the molecular formula C29H46O4 and a molecular weight of 458.7 g/mol. IUPAC name: [(7R,8R,9S,10R,13S,14S,17S)-7-(9-hydroxynonyl)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate. InChIKey: GRPRLSJDURTSPV-OMQCHTGPSA-N.

Identity
Molecular formulaC29H46O4
Molecular weight458.7 g/mol
IUPAC name[(7R,8R,9S,10R,13S,14S,17S)-7-(9-hydroxynonyl)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
InChIKeyGRPRLSJDURTSPV-OMQCHTGPSA-N
SMILESCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@H]34)CCCCCCCCCO)C

Computed by PubChem (NCBI)

Synonyms: Estr-4-en-3-one, 17-(acetyloxy)-7-(9-hydroxynonyl)-, (7alpha,17beta)-, 7alpha-(9-Hydroxynonyl)-3-oxoestr-4-en-17beta-yl acetate, (7|A,17|A)-17-(Acetyloxy)-7-(9-hydroxynonyl)estr-4-en-3-one, (7alpha,17beta)-17-(Acetyloxy)-7-(9-hydroxynonyl)estr-4-en-3-one, (7I+/-,17I(2))-17-(Acetyloxy)-7-(9-hydroxynonyl)estr-4-en-3-one, 17-(Acetyloxy)-7-(9-hydroxynonyl)estr-4-en-3-one, (7alpha,17beta)-
Isomers (same molecular formula)
(3E,5E)-6-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,6,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hepta-3,5-dien-2-one C29H46O4
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-acetyl-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid C29H46O4
[(1R,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxycyclohexyl] acetate C29H46O4
ethyl (5R)-5-[(3S,8S,9S,10R,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexanoate C29H46O4