Products for Research Use Only

Tigestol

CAT: 0013-GTR19241960-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241960-02Size:10 mg
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Description
Tigestol is an estrone derivative with anabolic, androgenic, and progestogenic activities. It is used in research to study steroid receptor interactions and hormonal effects in both in vitro assays and in vivo metabolic studies.
CAS Number
896-71-9
Smiles
C[C@@]12[C@] ([C@]3 ([C@] (CC1) (C4=C (CC3) CCCC4) [H]) [H]) (CC[C@]2 (C#C) O) [H]
Molecular Formula
C20H28O
Molecular Weight
284.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tigestol
CAS Number896-71-9
PubChem CID13471
IUPAC Name(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
Molecular FormulaC20H28O
Molecular Weight284.4
XLogP3.8
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity535
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3CCCC4
InChI
InChI=1S/C20H28O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h1,16-18,21H,4-13H2,2H3/t16-,17-,18+,19+,20+/m1/s1
InChIKey
DHOKBGHAEUVRMO-SLHNCBLASA-N
Chemical Structure
2D Structure
2D structure of Tigestol
CAS: 896-71-9
CID: 13471
Formula: C20H28O
MW: 284.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight284.4
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass284.214015512
Monoisotopic Mass284.214015512
Topological Polar Surface Area20.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity535
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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