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Eplerenone Impurity - 11-Alpha-Hydroxy Canrenone

CAT: 1299-RM-E181402-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E181402-01Size:10 mg
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CAS Number
192569-17-8
Synonyms
(8S,9S,10R,11R,13S,14S,17R) -11-hydroxy-10,13-dimethyl-1,3',4',8,9,10,11,12,13,14,15,16-dodecahydro-5'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5' (2H) -dione
Molecular Formula
C22H28O4
Molecular Weight
356.46
Target Alternative Name
Eplerenone
Product Name Synonym
(8S,9S,10R,11R,13S,14S,17R) -11-hydroxy-10,13-dimethyl-1,3',4',8,9,10,11,12,13,14,15,16-dodecahydro-5'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5' (2H) -dione

Chemical Information

11alpha-Hydroxycanrenone
CAS Number192569-17-8
PubChem CID10861210
IUPAC Name(8S,9S,10R,11R,13S,14S,17R)-11-hydroxy-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
Molecular FormulaC22H28O4
Molecular Weight356.5
XLogP1.5
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count26
Formal Charge0
Complexity751
SMILES
C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2[C@@H](C[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C)O
InChI
InChI=1S/C22H28O4/c1-20-8-5-14(23)11-13(20)3-4-15-16-6-9-22(10-7-18(25)26-22)21(16,2)12-17(24)19(15)20/h3-4,11,15-17,19,24H,5-10,12H2,1-2H3/t15-,16-,17+,19+,20-,21-,22+/m0/s1
InChIKey
RJTDWMKVQUPGSY-NYTLBARGSA-N
Chemical Structure
2D Structure
2D structure of 11alpha-Hydroxycanrenone
CAS: 192569-17-8
CID: 10861210
Formula: C22H28O4
MW: 356.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.5
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass356.19875937
Monoisotopic Mass356.19875937
Topological Polar Surface Area63.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity751
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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Alternative Products

CatalogName
AR-E01597-01Eplerenone Impurity 11
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