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4,17Alpha-Dimethyl-2-hydroxymethylene Testosterone

CAT: 0572-TRC-D473620-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D473620-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
38539-99-0
Synonyms
(17beta)-17-Hydroxy-2-(hydroxymethylene)-4,17-dimethyl-androst-4-en-3-one
Hazard Statement
No Data Available
Smiles
CC1=C2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@]4(C)O)[C@@]2(C)C\C(=C/O)\C1=O
Molecular Formula
C22H32O3
Molecular Weight
344.49
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4,17alpha-Dimethyl-2-hydroxymethylene Testosterone
CAS Number38539-99-0
PubChem CID57349609
IUPAC Name(8R,9S,10R,13S,14S,17S)-17-hydroxy-2-(hydroxymethylidene)-4,10,13,17-tetramethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC22H32O3
Molecular Weight344.5
XLogP4.3
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count25
Formal Charge0
Complexity689
SMILES
CC1=C2CC[C@H]3[C@@H]4CC[C@]([C@]4(CC[C@@H]3[C@]2(CC(=CO)C1=O)C)C)(C)O
InChI
InChI=1S/C22H32O3/c1-13-16-6-5-15-17(20(16,2)11-14(12-23)19(13)24)7-9-21(3)18(15)8-10-22(21,4)25/h12,15,17-18,23,25H,5-11H2,1-4H3/t15-,17+,18+,20+,21+,22+/m1/s1
InChIKey
TTXFXDNREBBNTM-UCLRZGAKSA-N
Chemical Structure
2D Structure
2D structure of 4,17alpha-Dimethyl-2-hydroxymethylene Testosterone
CAS: 38539-99-0
CID: 57349609
Formula: C22H32O3
MW: 344.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.5
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass344.23514488
Monoisotopic Mass344.23514488
Topological Polar Surface Area57.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity689
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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