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Testosterone Impurity 52

CAT: 1299-RM-T691552-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T691552-03Size:50 mg
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CAS Number
25862-97-9
Synonyms
(8R,9S,10R,13S,14S,17S) -10,13-dimethyl-3-oxo-2,3,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl propionate
Molecular Formula
C22H30O3
Molecular Weight
342.48
Target Alternative Name
Testosterone
Product Name Synonym
(8R,9S,10R,13S,14S,17S) -10,13-dimethyl-3-oxo-2,3,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl propionate

Chemical Information

17beta-Propanoyloxyandrosta-4,6-dien-3-one
CAS Number25862-97-9
PubChem CID14333869
IUPAC Name[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] propanoate
Molecular FormulaC22H30O3
Molecular Weight342.5
XLogP4.2
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity660
SMILES
CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)CC[C@]34C)C
InChI
InChI=1S/C22H30O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h5-6,13,16-19H,4,7-12H2,1-3H3/t16-,17-,18-,19-,21-,22-/m0/s1
InChIKey
UDBOJNPOZOKLHR-BLQWBTBKSA-N
Chemical Structure
2D Structure
2D structure of 17beta-Propanoyloxyandrosta-4,6-dien-3-one
CAS: 25862-97-9
CID: 14333869
Formula: C22H30O3
MW: 342.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight342.5
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass342.21949481
Monoisotopic Mass342.21949481
Topological Polar Surface Area43.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity660
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes