16alpha-Homo 2-(Hydroxymethyl)betamethasone

cas: 944031-56-5 — see every product listed under this CAS number, including other names

16alpha-Homo 2-(Hydroxymethyl)betamethasone (CAS 944031-56-5) is a chemical reagent available from Chemat. Available pack sizes: 5mg. Offered by: TRC.

brandTRC
catalog numberTRC-H298803-5MG
cas944031-56-5
size5mg
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Structural formula: {0} (CAS {1})

(2S,3S,4aS,4bS,10aS,10bR,11S,12aS)-10b-fluoro-2,11-dihydroxy-2-(hydroxymethyl)-3,10a,12a-trimethyl-3,4,4a,4b,5,6,11,12-octahydrochrysene-1,8-dione (CAS 944031-56-5) is a chemical compound with the molecular formula C22H29FO5 and a molecular weight of 392.5 g/mol. IUPAC name: (2S,3S,4aS,4bS,10aS,10bR,11S,12aS)-10b-fluoro-2,11-dihydroxy-2-(hydroxymethyl)-3,10a,12a-trimethyl-3,4,4a,4b,5,6,11,12-octahydrochrysene-1,8-dione. InChIKey: FOCFAOIORDLAJM-JQGIEVFVSA-N.

Identity
Molecular formulaC22H29FO5
Molecular weight392.5 g/mol
IUPAC name(2S,3S,4aS,4bS,10aS,10bR,11S,12aS)-10b-fluoro-2,11-dihydroxy-2-(hydroxymethyl)-3,10a,12a-trimethyl-3,4,4a,4b,5,6,11,12-octahydrochrysene-1,8-dione
InChIKeyFOCFAOIORDLAJM-JQGIEVFVSA-N
SMILESC[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2(C(=O)[C@]1(CO)O)C)O)F)C

Computed by PubChem (NCBI)

Synonyms: 16alpha-Homo 2-(Hydroxymethyl)betamethasone, 16?-Homo 2-(Hydroxymethyl)betamethasone
Isomers (same molecular formula)
(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one C22H29FO5
2-[(8S,9R,10S,11S,13S,14S,16S)-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-hydroxyacetic acid C22H29FO5
(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one C22H29FO5
(8S,9R,10R,11S,13S,14R,16S,17R)-8-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one C22H29FO5
(8S,9R,10R,11S,13R,14S,16S,17R)-14-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-3-one C22H29FO5
(Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-3-fluoro-4-phenoxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid C22H29FO5
(Z)-7-[(1R,2R,3R,5S)-2-[(E,3R)-3-fluoro-4-phenoxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid C22H29FO5
(6S,8S,9S,10R,11S,13S,14S,16R,17R)-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C22H29FO5
(6S,8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one C22H29FO5
2-[(8S,9R,10S,11S,13S,14S,16S,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-hydroxyacetic acid C22H29FO5
(8S,9R,10S,11S,13S,14S,16R,17R)-4,6,6-trideuterio-17-(2,2-dideuterio-2-hydroxyacetyl)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-8,11,12,14,15,16-hexahydro-7H-cyclopenta[a]phenanthren-3-one C22H29FO5
(8S,9R,10S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one C22H29FO5

Also listed as

Betamethasone Impurity 84 Chemat Brand CAS 944031-56-5