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Desoximetasone Impurity H

CAT: 1596-AR-D01501-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D01501-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
52092-65-6
Synonyms
2-oxo-2- ((4aS,4bS,5aS,6aS,7S,8R,9aS,9bS) -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) ethyl acetate; (9?,11?,16?) -21- (Acetyloxy) -9,11-epoxy-16-methyl-pregna-1,4-diene-3,20-dione; 9,11?-Epoxy-21-hydroxy-16?-methyl-9?-pregna-1,4-diene-3,20-dione Acetate; 9,11-Epoxy-9H-cyclopenta[a]phenanthrene, pregna-1,4-diene-3,20-dione deriv.;11,21-Didehydro- (9?,11?) -epoxy-21- (acetyloxy) Desoxymetasone
Molecular Formula
C24H30O5
Molecular Weight
398.5
API Name
Desoximetasone

Chemical Information

9beta,11beta-Epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetate
CAS Number52092-65-6
PubChem CID104076
IUPAC Name[2-oxo-2-[(1S,2S,10S,11S,13R,14S,15S,17S)-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]ethyl] acetate
Molecular FormulaC24H30O5
Molecular Weight398.5
XLogP3
Topological Polar Surface Area73
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity870
SMILES
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]35[C@@H](O5)C[C@@]2([C@H]1C(=O)COC(=O)C)C)C
InChI
InChI=1S/C24H30O5/c1-13-9-18-17-6-5-15-10-16(26)7-8-23(15,4)24(17)20(29-24)11-22(18,3)21(13)19(27)12-28-14(2)25/h7-8,10,13,17-18,20-21H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,20+,21-,22+,23+,24-/m1/s1
InChIKey
JKRMOSPJNPCGSZ-QNAHPZDQSA-N
Chemical Structure
2D Structure
2D structure of 9beta,11beta-Epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetate
CAS: 52092-65-6
CID: 104076
Formula: C24H30O5
MW: 398.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.5
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass398.20932405
Monoisotopic Mass398.20932405
Topological Polar Surface Area73 Ų
Heavy Atom Count29
Formal Charge0
Complexity870
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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