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Exemestane Impurity 28

CAT: 1596-AR-E10917-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-E10917-04Size:100 Units
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CAS Number
14895-71-7
Synonyms
(3S,5S,6S,8R,9S,10R,13S,14S) -3,6-Dihydroxy-10,13-dimethylhexadecahydro-17H-cyclopenta[a]phenanthren-17-one
Molecular Formula
C19H30O3
Molecular Weight
306.45
API Name
Exemestane

Chemical Information

Exemestane Impurity 30
CAS Number14895-71-7
PubChem CID15917986
IUPAC Name(3S,5S,6S,8R,9S,10R,13S,14S)-3,6-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
Molecular FormulaC19H30O3
Molecular Weight306.4
XLogP2.3
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity489
SMILES
C[C@]12CC[C@@H](C[C@@H]1[C@H](C[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O)O
InChI
InChI=1S/C19H30O3/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/h11-16,20-21H,3-10H2,1-2H3/t11-,12-,13-,14-,15+,16-,18+,19-/m0/s1
InChIKey
ACXNWFRSEGWJGF-GVJJLUTMSA-N
Chemical Structure
2D Structure
2D structure of Exemestane Impurity 30
CAS: 14895-71-7
CID: 15917986
Formula: C19H30O3
MW: 306.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.4
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass306.21949481
Monoisotopic Mass306.21949481
Topological Polar Surface Area57.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity489
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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