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Testosterone Methanesulfonate

CAT: 0572-TRC-T155110-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T155110-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
23067-29-0
Synonyms
(17beta)-17-[(Methylsulfonyl)oxy]-androst-4-en-3-one
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]2OS(=O)(=O)C
Molecular Formula
C20H30O4S
Molecular Weight
366.51
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

[(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] methanesulfonate
CAS Number23067-29-0
PubChem CID248499
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] methanesulfonate
Molecular FormulaC20H30O4S
Molecular Weight366.5
XLogP3.4
Topological Polar Surface Area68.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity718
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OS(=O)(=O)C)CCC4=CC(=O)CC[C@]34C
InChI
InChI=1S/C20H30O4S/c1-19-10-8-14(21)12-13(19)4-5-15-16-6-7-18(24-25(3,22)23)20(16,2)11-9-17(15)19/h12,15-18H,4-11H2,1-3H3/t15-,16-,17-,18-,19-,20-/m0/s1
InChIKey
MTFQLMPFZOYMAI-RABCQHRBSA-N
Chemical Structure
2D Structure
2D structure of [(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] methanesulfonate
CAS: 23067-29-0
CID: 248499
Formula: C20H30O4S
MW: 366.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.5
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass366.18648061
Monoisotopic Mass366.18648061
Topological Polar Surface Area68.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity718
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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