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6Î2-Hydroxyprednisolone

CAT: 1596-AR-P32477-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P32477-01Size:10 Units
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CAS Number
75448-52-1
Synonyms
2-hydroxy-2- ((8S,9S,10R,11S,13S,14S,17S) -11-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) acetic acid
Molecular Formula
C21H28O5
Molecular Weight
360.45
API Name
Prednisone

Chemical Information

2-hydroxy-2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]acetic acid
CAS Number75448-52-1
PubChem CID169445849
IUPAC Name2-hydroxy-2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]acetic acid
Molecular FormulaC21H28O5
Molecular Weight360.4
XLogP2.4
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity709
SMILES
C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@H]2C(C(=O)O)O)CCC4=CC(=O)C=C[C@]34C)O
InChI
InChI=1S/C21H28O5/c1-20-8-7-12(22)9-11(20)3-4-13-14-5-6-15(18(24)19(25)26)21(14,2)10-16(23)17(13)20/h7-9,13-18,23-24H,3-6,10H2,1-2H3,(H,25,26)/t13-,14-,15+,16-,17+,18?,20-,21-/m0/s1
InChIKey
BWKUSYNDLDKBKL-WVQAOHMYSA-N
Chemical Structure
2D Structure
2D structure of 2-hydroxy-2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]acetic acid
CAS: 75448-52-1
CID: 169445849
Formula: C21H28O5
MW: 360.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.4
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass360.19367399
Monoisotopic Mass360.19367399
Topological Polar Surface Area94.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity709
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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