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27-hydroxy Cholestenone

CAT: 0013-GTR19232305-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232305-02Size:5 mg
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Description
27-Hydroxycholestenone is an oxysterol intermediate in the synthesis of DAF-12 nuclear receptor ligands, such as dafachronic acid. Its levels are significantly increased in Cyp46a1 knockout mouse brains, making it a valuable tool for studying cholesterol metabolism and nuclear receptor signaling in neurodegenerative and aging research models.
CAS Number
56792-59-7
Smiles
C[C@@]12[C@] ([C@]3 ([C@@] ([C@]4 (C) C (CC3) =CC (=O) CC4) (CC1) [H]) [H]) (CC[C@@]2 ([C@@H] (CCC[C@H] (CO) C) C) [H]) [H]
Molecular Formula
C27H44O2
Molecular Weight
400.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(25R)-26-Hydroxycholest-4-en-3-one

(25R)-26-hydroxycholest-4-en-3-one is a 26-hydroxycholest-4-en-3-one in which the 25-position has R-configuration.

CAS Number56792-59-7
PubChem CID66932705
IUPAC Name(8S,9S,10R,13R,14S,17R)-17-[(2R,6R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC27H44O2
Molecular Weight400.6
XLogP7.1
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity651
SMILES
C[C@H](CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)CO
InChI
InChI=1S/C27H44O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h16,18-19,22-25,28H,5-15,17H2,1-4H3/t18-,19-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey
CXUORUGFOXGJNY-LUZKGJLSSA-N
Chemical Structure
2D Structure
2D structure of (25R)-26-Hydroxycholest-4-en-3-one
CAS: 56792-59-7
CID: 66932705
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 Count6
Exact Mass400.334130642
Monoisotopic Mass400.334130642
Topological Polar Surface Area37.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity651
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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