Products 1202002-00-3

CAS 1202002-00-3 appears in our catalog under these names: Betamethasone Impurity 47, Betamethasone Impurity 87. Offered by: Chemat Brand. Available pack sizes: on request.

Betamethasone Impurity 47
Chemat Brand
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  • Variants: 1
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Betamethasone Impurity 87
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

[(2R,3S,4aS,4bS,10aS,10bR,11S,12aS)-10b-fluoro-2,11-dihydroxy-3,10a,12a-trimethyl-1,8-dioxo-3,4,4a,4b,5,6,11,12-octahydrochrysen-2-yl]methyl dihydrogen phosphate (CAS 1202002-00-3) is a chemical compound with the molecular formula C22H30FO8P and a molecular weight of 472.4 g/mol. IUPAC name: [(2R,3S,4aS,4bS,10aS,10bR,11S,12aS)-10b-fluoro-2,11-dihydroxy-3,10a,12a-trimethyl-1,8-dioxo-3,4,4a,4b,5,6,11,12-octahydrochrysen-2-yl]methyl dihydrogen phosphate. InChIKey: UMDXSWFTRAIQMC-DVTGEIKXSA-N.

Identity
Molecular formulaC22H30FO8P
Molecular weight472.4 g/mol
IUPAC name[(2R,3S,4aS,4bS,10aS,10bR,11S,12aS)-10b-fluoro-2,11-dihydroxy-3,10a,12a-trimethyl-1,8-dioxo-3,4,4a,4b,5,6,11,12-octahydrochrysen-2-yl]methyl dihydrogen phosphate
InChIKeyUMDXSWFTRAIQMC-DVTGEIKXSA-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(COP(=O)(O)O)O)C)O)F)C

Computed by PubChem (NCBI)

Related forms of this compound
[(2S,3S,4aS,4bS,10aS,10bR,11S,12aS)-10b-fluoro-2,11-dihydroxy-3,10a,12a-trimethyl-1,8-dioxo-3,4,4a,4b,5,6,11,12-octahydrochrysen-2-yl]methyl dihydrogen phosphate C22H30FO8P
Isomers (same molecular formula)
[2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dihydrogen phosphate C22H30FO8P
[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dihydrogen phosphate C22H30FO8P
[(1S,3S,4aS,4bS,10aS,10bR,11S,12aS)-10b-fluoro-1,11-dihydroxy-3,10a,12a-trimethyl-2,8-dioxo-3,4,4a,4b,5,6,11,12-octahydrochrysen-1-yl]methyl dihydrogen phosphate C22H30FO8P
[(1R,3S,4aS,4bS,10aS,10bR,11S,12aS)-10b-fluoro-1,11-dihydroxy-3,10a,12a-trimethyl-2,8-dioxo-3,4,4a,4b,5,6,11,12-octahydrochrysen-1-yl]methyl dihydrogen phosphate C22H30FO8P