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7a-Hydroxycholesterol

CAT: 0013-GTR19173098-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19173098-01Size:1 mg
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Description
7α-Hydroxycholesterol
CAS Number
566-26-7
Product Name Alternative
Peroxidation, Cholesterol, biomarker, 7α Hydroxycholesterol, 7αHydroxycholesterol, 7α-Hydroxycholesterol, 7a-Hydroxycholesterol, 7alpha-Hydroxycholesterol, lipid, non-enzymatic, inhibit, oxide, oxidation, enzymatic, Inhibitor
Field of Research
Cardiovascular Research, Cell Biology, Immunology & Inflammation, Metabolism Research, Signal Transduction
Purity
>98%
Bioactivity
Cholesterol metabolite
Form
Powder
Solubility
Soluble in DMSO or in Ethanol.
Smiles
[H][C@@]1 (CC[C@@]2 ([H]) [C@]3 ([H]) [C@H] (O) C=C4C[C@@H] (O) CC[C@]4 (C) [C@@]3 ([H]) CC[C@]12C) [C@H] (C) CCCC (C) C
Molecular Formula
C27H46O2
Molecular Weight
402.66
Storage Conditions
-20°C
Notes
For research use only.
Other Product Names
5-Cholesten-3β, 7α-diol

Chemical Information

7Alpha-Hydroxycholesterol

7alpha-hydroxycholesterol is the 7alpha-hydroxy derivative of cholesterol. It has a role as a mouse metabolite. It is a 3beta-hydroxy-Delta(5)-steroid, a 7alpha-hydroxy steroid and an oxysterol. It is functionally related to a cholesterol.

CAS Number566-26-7
PubChem CID107722
IUPAC Name(3S,7S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Molecular FormulaC27H46O2
Molecular Weight402.7
XLogP7.4
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity624
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C
InChI
InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1
InChIKey
OYXZMSRRJOYLLO-RVOWOUOISA-N
Chemical Structure
2D Structure
2D structure of 7Alpha-Hydroxycholesterol
CAS: 566-26-7
CID: 107722
Formula: C27H46O2
MW: 402.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.7
XLogP37.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass402.349780706
Monoisotopic Mass402.349780706
Topological Polar Surface Area40.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity624
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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