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17-epi-Testosterone Enanthate

CAT: 0572-TRC-T155095-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T155095-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
219296-36-3
Synonyms
Androst-4-en-3-one, 17-[(1-oxoheptyl)oxy]-, (17α)- (9CI); 3-Oxoandrost-4-en-17α-yl heptanoate; 17α-Testosterone enantate
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CCCCCCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Molecular Formula
C26 H40 O3
Molecular Weight
400.594
InChI
InChI=1S/C26H40O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3/h17,20-23H,4-16H2,1-3H3/t20-,21-,22-,23+,25-,26-/m0/s1
Additionnal Information
IUPAC name: [(8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

17alpha-Testosterone enanthate
CAS Number219296-36-3
PubChem CID72941766
IUPAC Name[(8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate
Molecular FormulaC26H40O3
Molecular Weight400.6
XLogP6.3
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity679
SMILES
CCCCCCC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
InChI
InChI=1S/C26H40O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3/h17,20-23H,4-16H2,1-3H3/t20-,21-,22-,23+,25-,26-/m0/s1
InChIKey
VOCBWIIFXDYGNZ-PDVSWFIFSA-N
Chemical Structure
2D Structure
2D structure of 17alpha-Testosterone enanthate
CAS: 219296-36-3
CID: 72941766
Formula: C26H40O3
MW: 400.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.6
XLogP36.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass400.29774513
Monoisotopic Mass400.29774513
Topological Polar Surface Area43.4 Ų
Heavy Atom Count29
Formal Charge0
Complexity679
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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