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Isoxa Testosterone

CAT: 1596-AR-T05979-05Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-T05979-05Size:150
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
60413-79-8
Synonyms
(1S,3aS,3bR,10aR,10bS,12aS) -10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d]isoxazol-1-ol
Molecular Formula
C20H27NO2
Molecular Weight
313.44
API Name
Testosterone

Chemical Information

(17beta)-Androsta-2,4-dieno(2,3-d)isoxazol-17-ol
CAS Number60413-79-8
PubChem CID108939
IUPAC Name(1S,2R,13R,14S,17S,18S)-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol
Molecular FormulaC20H27NO2
Molecular Weight313.4
XLogP3.9
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count23
Formal Charge0
Complexity546
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC5=C(C[C@]34C)C=NO5
InChI
InChI=1S/C20H27NO2/c1-19-8-7-16-14(15(19)5-6-18(19)22)4-3-13-9-17-12(11-21-23-17)10-20(13,16)2/h9,11,14-16,18,22H,3-8,10H2,1-2H3/t14-,15-,16-,18-,19-,20-/m0/s1
InChIKey
DYZKECRYCBBYFI-GJCUDGATSA-N
Chemical Structure
2D Structure
2D structure of (17beta)-Androsta-2,4-dieno(2,3-d)isoxazol-17-ol
CAS: 60413-79-8
CID: 108939
Formula: C20H27NO2
MW: 313.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight313.4
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass313.204179104
Monoisotopic Mass313.204179104
Topological Polar Surface Area46.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity546
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

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