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Testosterone Impurity 35

CAT: 1299-RM-T691535-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T691535-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2241819-49-6
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 undecanoate
Molecular Formula
C30H46O3
Molecular Weight
454.7
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 undecanoate

Chemical Information

delta-9,11-Testosterone Undecanoate
CAS Number2241819-49-6
PubChem CID176486548
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] undecanoate
Molecular FormulaC30H46O3
Molecular Weight454.7
XLogP7.8
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Heavy Atom Count33
Formal Charge0
Complexity792
SMILES
CCCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)CC[C@@]43C)C
InChI
InChI=1S/C30H46O3/c1-4-5-6-7-8-9-10-11-12-28(32)33-27-16-15-25-24-14-13-22-21-23(31)17-19-29(22,2)26(24)18-20-30(25,27)3/h18,21,24-25,27H,4-17,19-20H2,1-3H3/t24-,25-,27-,29-,30-/m0/s1
InChIKey
VQPJITALAZUFAM-HWIAEOKWSA-N
Chemical Structure
2D Structure
2D structure of delta-9,11-Testosterone Undecanoate
CAS: 2241819-49-6
CID: 176486548
Formula: C30H46O3
MW: 454.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.7
XLogP37.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Exact Mass454.34469533
Monoisotopic Mass454.34469533
Topological Polar Surface Area43.4 Ų
Heavy Atom Count33
Formal Charge0
Complexity792
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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