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Exemestane Impurity 25

CAT: 1596-AR-E10914-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-E10914-02Size:25 Units
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CAS Number
600178-04-9
Synonyms
(3S,5R,6R,8R,9S,10R,13S,14S,17S) -10,13-Dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,6,17-triol
Molecular Formula
C19H32O3
Molecular Weight
308.46
API Name
Exemestane

Chemical Information

Exemestane Impurity 27
CAS Number600178-04-9
PubChem CID10979781
IUPAC Name(3S,5R,6R,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,17-triol
Molecular FormulaC19H32O3
Molecular Weight308.5
XLogP2.8
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity452
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C[C@H]([C@H]4[C@@]3(CC[C@@H](C4)O)C)O
InChI
InChI=1S/C19H32O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h11-17,20-22H,3-10H2,1-2H3/t11-,12-,13-,14-,15-,16+,17-,18+,19-/m0/s1
InChIKey
OFAZPSYXUKIJIK-QSDKRNRPSA-N
Chemical Structure
2D Structure
2D structure of Exemestane Impurity 27
CAS: 600178-04-9
CID: 10979781
Formula: C19H32O3
MW: 308.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.5
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass308.23514488
Monoisotopic Mass308.23514488
Topological Polar Surface Area60.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity452
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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