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Testosterone EP Impurity J

CAT: 1299-RM-T691510-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T691510-02Size:25 mg
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CAS Number
57144-06-6
Synonyms
(8R,9S,10R,13S,14S) -3-methoxy-10,13-dimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17 (2H) -one
Molecular Formula
C20H28O2
Molecular Weight
300.44
Target Alternative Name
Testosterone
Product Name Synonym
(8R,9S,10R,13S,14S) -3-methoxy-10,13-dimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17 (2H) -one

Chemical Information

3-Methoxyandrosta-3,5-dien-17-one
CAS Number57144-06-6
PubChem CID92687
IUPAC Name(8R,9S,10R,13S,14S)-3-methoxy-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one
Molecular FormulaC20H28O2
Molecular Weight300.4
XLogP4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity572
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CCC(=C4)OC)C
InChI
InChI=1S/C20H28O2/c1-19-10-8-14(22-3)12-13(19)4-5-15-16-6-7-18(21)20(16,2)11-9-17(15)19/h4,12,15-17H,5-11H2,1-3H3/t15-,16-,17-,19-,20-/m0/s1
InChIKey
WSIQEGIPGPEMTC-TXTPUJOMSA-N
Chemical Structure
2D Structure
2D structure of 3-Methoxyandrosta-3,5-dien-17-one
CAS: 57144-06-6
CID: 92687
Formula: C20H28O2
MW: 300.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight300.4
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass300.208930132
Monoisotopic Mass300.208930132
Topological Polar Surface Area26.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity572
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