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Colestolone

CAT: 0013-GTR19273841-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19273841-02Size:50 mg
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Description
Colestolone is a 15-ketosterol compound and an HMG-CoA reductase inhibitor. It can inhibit cholesterol ester transfer protein (CETP) activity in vitro with an IC50 of 660 μM. As a cholesterol-lowering agent, colestolone is used in the research of endocrine and metabolic disorders, such as hyperlipidemia.
CAS Number
50673-97-7
Smiles
C[C@@]12C (=C3[C@@] ([C@]4 (C) [C@@] (CC3) (C[C@@H] (O) CC4) [H]) (CC1) [H]) C (=O) C[C@@]2 ([C@@H] (CCCC (C) C) C) [H]
Molecular Formula
C27H44O2
Molecular Weight
400.65
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Colestolone

3beta-hydroxy-5alpha-cholest-8(14)-en-15-one is a 3beta-hydroxysteroid consisting of 3beta-hydroxy-5alpha-cholest-8(14)-ene having an additional oxo group at the 15-position. It is a 3beta-hydroxy steroid and a 15-oxo steroid.

CAS Number50673-97-7
PubChem CID10046567
IUPAC Name(3S,5S,9R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
Molecular FormulaC27H44O2
Molecular Weight400.6
XLogP7.1
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity676
SMILES
C[C@H](CCCC(C)C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@H](CC[C@@]4([C@H]3CC[C@]12C)C)O
InChI
InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)23-16-24(29)25-21-10-9-19-15-20(28)11-13-26(19,4)22(21)12-14-27(23,25)5/h17-20,22-23,28H,6-16H2,1-5H3/t18-,19+,20+,22+,23-,26+,27-/m1/s1
InChIKey
LINVVMHRTUSXHL-GGVPDPBRSA-N
Chemical Structure
2D Structure
2D structure of Colestolone
CAS: 50673-97-7
CID: 10046567
Formula: C27H44O2
MW: 400.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.6
XLogP37.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass400.334130642
Monoisotopic Mass400.334130642
Topological Polar Surface Area37.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity676
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

Alternative Products

CatalogName
HY-W414588Colestolone

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