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Testosterone Impurity 99

CAT: 1299-RM-T691599-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T691599-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
29430-26-0
Synonyms
(8R,9S,10R,13S,14S,17S) -10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl undec-10-enoate
Molecular Formula
C30H46O3
Molecular Weight
454.7
Target Alternative Name
Testosterone
Product Name Synonym
(8R,9S,10R,13S,14S,17S) -10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl undec-10-enoate

Chemical Information

(17beta)-17-((1-Oxo-10-undecen-1-yl)oxy)androst-4-en-3-one
CAS Number29430-26-0
PubChem CID9846790
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] undec-10-enoate
Molecular FormulaC30H46O3
Molecular Weight454.7
XLogP8
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Heavy Atom Count33
Formal Charge0
Complexity767
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCCCCCCCC=C)CCC4=CC(=O)CC[C@]34C
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/h4,21,24-27H,1,5-20H2,2-3H3/t24-,25-,26-,27-,29-,30-/m0/s1
InChIKey
PBFYIQCFOZXSKC-CNQKSJKFSA-N
Chemical Structure
2D Structure
2D structure of (17beta)-17-((1-Oxo-10-undecen-1-yl)oxy)androst-4-en-3-one
CAS: 29430-26-0
CID: 9846790
Formula: C30H46O3
MW: 454.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.7
XLogP38
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
Complexity767
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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