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Quingestanol acetate

CAT: 0013-GTR19192985-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19192985-01Size:25 mg
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Description
Quingestanol acetate is a synthetic progestin steroid used in biochemical research. It serves as a reference standard and experimental tool for studying progestogen activity in receptor binding assays and in vitro pharmacological models.
CAS Number
3000-39-3
Field of Research
Pharmacology & Drug Discovery
Smiles
[H][C@@]12CC[C@@] (OC (C) =O) (C#C) [C@@]1 (C) CC[C@]1 ([H]) [C@@]3 ([H]) CCC (OC4CCCC4) =CC3=CC[C@@]21[H]
Molecular Formula
C27H36O3
Molecular Weight
408.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Quingestanol Acetate

Quingestanol acetate is a steroid ester.

CAS Number3000-39-3
PubChem CID18142
IUPAC Name[(8R,9S,10R,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Molecular FormulaC27H36O3
Molecular Weight408.6
XLogP5.3
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity822
SMILES
CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@H]3CCC(=C4)OC5CCCC5)C)C#C
InChI
InChI=1S/C27H36O3/c1-4-27(30-18(2)28)16-14-25-24-11-9-19-17-21(29-20-7-5-6-8-20)10-12-22(19)23(24)13-15-26(25,27)3/h1,9,17,20,22-25H,5-8,10-16H2,2-3H3/t22-,23+,24+,25-,26-,27-/m0/s1
InChIKey
FLGJKPPXEKYCBY-AKCFYGDASA-N
Chemical Structure
2D Structure
2D structure of Quingestanol Acetate
CAS: 3000-39-3
CID: 18142
Formula: C27H36O3
MW: 408.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.6
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass408.26644501
Monoisotopic Mass408.26644501
Topological Polar Surface Area35.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity822
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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