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11α-hydroxy Testosterone

CAT: 0013-GTR19232808-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232808-01Size:1 mg
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Description
11α-Hydroxy Testosterone is a testosterone metabolite synthesized by CYP3A, a CYP107A1 mutant, or from 11α-hydroxy progesterone via B. bassiana. Its biological activity is not fully defined, making it a compound of interest for in vitro enzymatic studies and research into steroid metabolism pathways.
CAS Number
3066-12-4
Field of Research
Pharmacology & Drug Discovery
Smiles
C[C@@]12[C@@]3 ([C@] ([C@]4 ([C@] (C) (C[C@H]3O) [C@@H] (O) CC4) [H]) (CCC1=CC (=O) CC2) [H]) [H]
Molecular Formula
C19H28O3
Molecular Weight
304.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

11alpha-Hydroxytestosterone

11alpha,17beta-Dihydroxyandrost-4-en-3-one is a 3-hydroxy steroid. It has a role as an androgen.

CAS Number3066-12-4
PubChem CID11954152
IUPAC Name(8S,9S,10R,11R,13S,14S,17S)-11,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC19H28O3
Molecular Weight304.4
XLogP2.2
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity539
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@@H](C[C@]4([C@H]3CC[C@@H]4O)C)O
InChI
InChI=1S/C19H28O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-17,21-22H,3-8,10H2,1-2H3/t13-,14-,15+,16-,17+,18-,19-/m0/s1
InChIKey
YQDZGFAYWGWSJK-RUOITVIXSA-N
Chemical Structure
2D Structure
2D structure of 11alpha-Hydroxytestosterone
CAS: 3066-12-4
CID: 11954152
Formula: C19H28O3
MW: 304.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight304.4
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass304.20384475
Monoisotopic Mass304.20384475
Topological Polar Surface Area57.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity539
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes