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Prednisolone Acetate EP Impurity C

CAT: 1299-RM-P160518-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P160518-01Size:10 mg
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CAS Number
98523-85-4
Synonyms
2- ((8S,9S,10R,11S,13S,14S,17R) -11-acetoxy-17-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl) -2-oxoethyl acetate
Molecular Formula
C25H32O7
Molecular Weight
444.52
Target Alternative Name
Prednisolone
Product Name Synonym
2- ((8S,9S,10R,11S,13S,14S,17R) -11-acetoxy-17-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl) -2-oxoethyl acetate

Chemical Information

Prednisolone 11,21-diacetate
CAS Number98523-85-4
PubChem CID14885135
IUPAC Name[2-[(8S,9S,10R,11S,13S,14S,17R)-11-acetyloxy-17-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Molecular FormulaC25H32O7
Molecular Weight444.5
XLogP3
Topological Polar Surface Area107
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity933
SMILES
CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)OC(=O)C)C)O
InChI
InChI=1S/C25H32O7/c1-14(26)31-13-21(29)25(30)10-8-19-18-6-5-16-11-17(28)7-9-23(16,3)22(18)20(32-15(2)27)12-24(19,25)4/h7,9,11,18-20,22,30H,5-6,8,10,12-13H2,1-4H3/t18-,19-,20-,22+,23-,24-,25-/m0/s1
InChIKey
NTDDKQGHIJOKSN-WEXULQILSA-N
Chemical Structure
2D Structure
2D structure of Prednisolone 11,21-diacetate
CAS: 98523-85-4
CID: 14885135
Formula: C25H32O7
MW: 444.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.5
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass444.21480336
Monoisotopic Mass444.21480336
Topological Polar Surface Area107 Ų
Heavy Atom Count32
Formal Charge0
Complexity933
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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