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6-beta Hydroxy Dexamethasone

CAT: 1596-AR-D01621-03Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-D01621-03Size:150
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CAS Number
55879-47-5
Synonyms
(6R,8S,9R,10S,11S,13S,14S,16R,17R) -9-fluoro-6,11,17-trihydroxy-17- (2-hydroxyacetyl) -10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one; (6β,11β,16α) -9-Fluoro-6,11,17,21-tetrahydroxy-16-methylpregna-1,4-diene-3,20- dione; 6-Hydroxydexamethasone
Molecular Formula
C22H29FO6
Molecular Weight
408.46
API Name
Dexamethasone

Chemical Information

6-Hydroxydexamethasone

RN given for (6beta,11beta,16alpha)-isomer

CAS Number55879-47-5
PubChem CID63050
IUPAC Name(6R,8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-6,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC22H29FO6
Molecular Weight408.5
XLogP0.9
Topological Polar Surface Area115
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity837
SMILES
C[C@@H]1C[C@H]2[C@@H]3C[C@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)O
InChI
InChI=1S/C22H29FO6/c1-11-6-13-14-8-16(26)15-7-12(25)4-5-19(15,2)21(14,23)17(27)9-20(13,3)22(11,29)18(28)10-24/h4-5,7,11,13-14,16-17,24,26-27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16-,17+,19+,20+,21+,22+/m1/s1
InChIKey
RVBSTEHLLHXILB-QODHSQIYSA-N
Chemical Structure
2D Structure
2D structure of 6-Hydroxydexamethasone
CAS: 55879-47-5
CID: 63050
Formula: C22H29FO6
MW: 408.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.5
XLogP30.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass408.19481680
Monoisotopic Mass408.19481680
Topological Polar Surface Area115 Ų
Heavy Atom Count29
Formal Charge0
Complexity837
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T373616β-hydroxy Dexamethasone
FH44906-016-Hydroxy dexamethasone
TRC-H939480-25MG3-Hydroxy Dexamethasone (Alpha/Beta-Mixture)
00141121-O-Acetyl 6β-Hydroxy Dexamethasone
421357-0121-Dehydro-6β-hydroxy-dimethoxy Dexamethasone Hydrate
TRC-D712230-25MGDexamethasone 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-5-(2-((3-oxopropyl)thio)acetamido)benzoic Acid (>98%)
PC10262222- ((8S,9R,10S,11S,13S,14S,16R,17S) -9-Fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl) -2-oxoethyl dihydrogen phosphate (Dexamethasone Impurity)
OR1039858-012- ((4aS,4bS,5aS,6aS,7R,8R,9aS,9bS) -7-Hydroxy-4a,6a,8-trimethyl-2-oxo-2,4a,5a,6,6a,7,8,9,9a,9b,10,11-dodecahydrocyclopenta[1,2]phenanthro[4,4a-b]oxiren-7-yl) -2-oxoethyl acetate (Dexamethasone Acetate Impurity)
PC10262652- ((8S,9R,10S,11S,13S,14S,16R,17R) -11-Acetoxy-9-fluoro-17-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl) -2-oxoethyl acetate (Dexamethasone Acetate Impurity)
PC1001577-012- ((8S,9R,10S,11S,13S,14S,16R,17S) -9-Fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl) -2-oxoethyl acetate (Desoximetasone Impurity G (Dexamethasone Acetate Impurity)

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