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Testosterone 17-Phenylpropionate

CAT: 0572-TRC-T155150-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T155150-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1255-49-8
Synonyms
Testosterone, hydrocinnamate (6CI,7CI,8CI); Hydrocinnamic acid, ester with testosterone (8CI); Androject; Hydrocinnamic acid, testosterone ester; NSC 26643; Retandrol; Testosterone 17-phenylpropionate; Testosterone phenpropionate; Testosterone phenylpropanoate; Testosterone phenylpropionate; Androst-4-en-3-one, 17-(1-oxo-3-phenylpropoxy)-, (17beta)-; (17beta)-17-(1-Oxo-3-phenylpropoxy)androst-4-en-3-one; 3-Oxoandrost-4-en-17beta-yl beta-phenylpropionate
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Smiles
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCc5ccccc5
Molecular Formula
C28 H36 O3
Molecular Weight
420.58
InChI
InChI=1S/C28H36O3/c1-27-16-14-21(29)18-20(27)9-10-22-23-11-12-25(28(23,2)17-15-24(22)27)31-26(30)13-8-19-6-4-3-5-7-19/h3-7,18,22-25H,8-17H2,1-2H3/t22-,23-,24-,25-,27-,28-/m0/s1
Additionnal Information
IUPAC name: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 3-phenylpropanoate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Testosterone phenylpropionate

Testosterone phenylpropionate is a steroid ester.

CAS Number1255-49-8
PubChem CID14743
IUPAC Name[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 3-phenylpropanoate
Molecular FormulaC28H36O3
Molecular Weight420.6
XLogP5.8
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity747
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4=CC=CC=C4)CCC5=CC(=O)CC[C@]35C
InChI
InChI=1S/C28H36O3/c1-27-16-14-21(29)18-20(27)9-10-22-23-11-12-25(28(23,2)17-15-24(22)27)31-26(30)13-8-19-6-4-3-5-7-19/h3-7,18,22-25H,8-17H2,1-2H3/t22-,23-,24-,25-,27-,28-/m0/s1
InChIKey
HHSXYDOROIURIP-FEZCWRLCSA-N
Chemical Structure
2D Structure
2D structure of Testosterone phenylpropionate
CAS: 1255-49-8
CID: 14743
Formula: C28H36O3
MW: 420.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.6
XLogP35.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass420.26644501
Monoisotopic Mass420.26644501
Topological Polar Surface Area43.4 Ų
Heavy Atom Count31
Formal Charge0
Complexity747
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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