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Exemestane Impurity 4

CAT: 1596-AR-E10902-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-E10902-02Size:25 Units
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CAS Number
2467590-81-2
Synonyms
(8R,9S,10R,13S,14S) -10,13-dimethyl-16-methylene-7,8,9,10,11,12,13,14,15,16-decahydro-3H-cyclopenta[a]phenanthrene-3,17 (6H) -dione
Molecular Formula
C20H24O2
Molecular Weight
296.41
API Name
Exemestane

Chemical Information

Exemestane Impurity 14
CAS Number2467590-81-2
PubChem CID71750328
IUPAC Name(8R,9S,10R,13S,14S)-10,13-dimethyl-16-methylidene-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3,17-dione
Molecular FormulaC20H24O2
Molecular Weight296.4
XLogP3.8
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity653
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC(=C)C2=O)CCC4=CC(=O)C=C[C@]34C
InChI
InChI=1S/C20H24O2/c1-12-10-17-15-5-4-13-11-14(21)6-8-19(13,2)16(15)7-9-20(17,3)18(12)22/h6,8,11,15-17H,1,4-5,7,9-10H2,2-3H3/t15-,16+,17+,19+,20+/m1/s1
InChIKey
RZIUHILBJPKCLT-ORZNMBHWSA-N
Chemical Structure
2D Structure
2D structure of Exemestane Impurity 14
CAS: 2467590-81-2
CID: 71750328
Formula: C20H24O2
MW: 296.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.4
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass296.177630004
Monoisotopic Mass296.177630004
Topological Polar Surface Area34.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity653
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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