Betamethasone Enol Aldehyde E Isomer

cas: 52647-07-1 — see every product listed under this CAS number, including other names

Betamethasone Enol Aldehyde E Isomer (CAS 52647-07-1) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

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cas52647-07-1
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Structural formula: {0} (CAS {1})

(2E)-2-[(8S,10S,11S,13S,14S,16S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ylidene]-2-hydroxyacetaldehyde (CAS 52647-07-1) is a chemical compound with the molecular formula C22H27FO4 and a molecular weight of 374.4 g/mol. IUPAC name: (2E)-2-[(8S,10S,11S,13S,14S,16S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ylidene]-2-hydroxyacetaldehyde. InChIKey: TYYMPHSFTLTHRI-OHKLHEPBSA-N.

Identity
Molecular formulaC22H27FO4
Molecular weight374.4 g/mol
IUPAC name(2E)-2-[(8S,10S,11S,13S,14S,16S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ylidene]-2-hydroxyacetaldehyde
InChIKeyTYYMPHSFTLTHRI-OHKLHEPBSA-N
SMILESC[C@H]\1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3([C@H](C[C@@]2(/C1=C(\C=O)/O)C)O)F)C

Computed by PubChem (NCBI)

Synonyms: Betamethasone Enol Aldehyde E Isomer, Betamethasone Impurity 18, Betamethazone enol aldehyde E-isomer
Related forms of this compound
(2Z)-2-(9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ylidene)-2-hydroxyacetaldehyde C22H27FO4
(2Z)-2-[(8S,9R,10S,11S,13S,14S,16R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ylidene]-2-hydroxyacetaldehyde C22H27FO4
(2Z)-2-[(9R,10S,11S,13S,16S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ylidene]-2-hydroxyacetaldehyde C22H27FO4
(2Z)-2-[(8S,9R,10S,11S,13S,14S,16S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ylidene]-2-hydroxyacetaldehyde C22H27FO4
Isomers (same molecular formula)
(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11-hydroxy-10,13,16-trimethylspiro[6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17,2'-oxetane]-3,3'-dione C22H27FO4
(2E)-2-[(8S,9R,10S,11S,13S,14S,16S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ylidene]acetic acid C22H27FO4
2-[(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde C22H27FO4
(1S,2S,8S,11S,13R,14S,15S,17S)-8-fluoro-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one C22H27FO4
(8S,9R,10S,11S,13S,14S)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-3-one C22H27FO4
(8S,9R,10S,13S,14S,16S,17R)-9-fluoro-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,14,15,16-hexahydrocyclopenta[a]phenanthren-3-one C22H27FO4
2-[(6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde C22H27FO4

Also listed as

(E)-Betamethasone-∆17,20 21-Aldehyde TRC CAS 52647-07-1
(E)-Betamethasone-Delta17,20 21-Aldehyde TRC CAS 52647-07-1
Betamethasone enol aldehyde E isomer, 5 mg Roth CAS 52647-07-1
Betamethasone enol aldehyde E isomer, 10 mg Roth CAS 52647-07-1
Betamethasone enol aldehyde E isomer, 25 mg Roth CAS 52647-07-1
Betamethasone enol aldehyde E isomer, 50 mg Roth CAS 52647-07-1
Betamethasone enol aldehyde E isomer, 100 mg Roth CAS 52647-07-1