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Testosterone Impurity 44

CAT: 1299-RM-T691544-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T691544-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
119698-27-0
Synonyms
(8S,10S,13S,14S,17S) -10,13-dimethyl-3-oxo-2,3,6,7,8,10,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl heptanoate
Molecular Formula
C26H38O3
Molecular Weight
398.59
Target Alternative Name
Testosterone
Product Name Synonym
(8S,10S,13S,14S,17S) -10,13-dimethyl-3-oxo-2,3,6,7,8,10,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl heptanoate

Chemical Information

delta9(11)-Testosterone enanthate
CAS Number119698-27-0
PubChem CID72941665
IUPAC Name[(8S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] heptanoate
Molecular FormulaC26H38O3
Molecular Weight398.6
XLogP5.6
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity732
SMILES
CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)CC[C@@]43C)C
InChI
InChI=1S/C26H38O3/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/h14,17,20-21,23H,4-13,15-16H2,1-3H3/t20-,21-,23-,25-,26-/m0/s1
InChIKey
YLZQRXWCRVQXTO-QAXGJQJKSA-N
Chemical Structure
2D Structure
2D structure of delta9(11)-Testosterone enanthate
CAS: 119698-27-0
CID: 72941665
Formula: C26H38O3
MW: 398.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.6
XLogP35.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass398.28209507
Monoisotopic Mass398.28209507
Topological Polar Surface Area43.4 Ų
Heavy Atom Count29
Formal Charge0
Complexity732
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

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