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Prednisolone Acetate EP Impurity E

CAT: 1299-RM-P160520-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P160520-04Size:100 mg
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CAS Number
4380-55-6
Synonyms
2- ((8S,10S,13S,14S,17R) -17-hydroxy-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl) -2-oxoethyl acetate
Molecular Formula
C23H28O5
Molecular Weight
384.47
Target Alternative Name
Prednisolone
Product Name Synonym
2- ((8S,10S,13S,14S,17R) -17-hydroxy-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl) -2-oxoethyl acetate

Chemical Information

17-Hydroxy-3,20-dioxopregna-1,4,9(11)-trien-21-yl acetate
CAS Number4380-55-6
PubChem CID11876453
IUPAC Name[2-[(8S,10S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Molecular FormulaC23H28O5
Molecular Weight384.5
XLogP2.3
Topological Polar Surface Area80.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity849
SMILES
CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)C=C[C@@]43C)C)O
InChI
InChI=1S/C23H28O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h6-7,9,12,17,19,27H,4-5,8,10-11,13H2,1-3H3/t17-,19+,21+,22+,23+/m1/s1
InChIKey
SBUSWJGDMXBNFJ-GACAOOTBSA-N
Chemical Structure
2D Structure
2D structure of 17-Hydroxy-3,20-dioxopregna-1,4,9(11)-trien-21-yl acetate
CAS: 4380-55-6
CID: 11876453
Formula: C23H28O5
MW: 384.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.5
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass384.19367399
Monoisotopic Mass384.19367399
Topological Polar Surface Area80.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity849
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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