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7α-Hydroxycholesterol-d7

CAT: 0804-HY-N7264S-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N7264S-02Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
7α-Hydroxycholesterol-d7 is the deuterium labeled 7α-Hydroxycholesterol. 7α-Hydroxycholesterol is a cholesterol oxide and is formed by both enzymatic and non-enzymatic oxidation. 7α-Hydroxycholesterol can be used as a biomarker for lipid peroxidation[1][2][3].
CAS Number
349553-94-2
UNSPSC
12352211
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Metabolic Disease
Purity
97.73
Solubility
10 mM in DMSO
Smiles
C[C@@]12[C@](CC[C@]2([H])[C@H](C)CCCC(C([2H])([2H])[2H])([2H])C([2H])([2H])[2H])([H])[C@@]3([H])[C@@](CC1)([H])[C@@]4(C(C[C@H](CC4)O)=C[C@H]3O)C
Molecular Formula
C27H39D7O2
Molecular Weight
409.70
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.|[2] Ferderbar S, et al. Cholesterol oxides as biomarkers of oxidative stress in type 1 and type 2 diabetes mellitus. Diabetes Metab Res Rev. 2007 Jan;23 (1) :35-42.|[3]Kitano S, et al. Oxidative status of human low density lipoprotein isolated by anion-exchange high-performance liquid chromatography--assessment by total hydroxyoctadecadienoic acid, 7-hydroxycholesterol, and 8-iso-prostaglandin F (2alpha) . Anal Chim Acta. 2007 Feb 28;585 (1) :86-93.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

7alpha-Hydroxycholesterol-d7
CAS Number349553-94-2
PubChem CID3247055
IUPAC Name(3S,7S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-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 Weight409.7
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
[2H]C([2H])([2H])C([2H])(CCC[C@@H](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)C([2H])([2H])[2H]
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/i1D3,2D3,17D
InChIKey
OYXZMSRRJOYLLO-WCYTWDCFSA-N
Chemical Structure
2D Structure
2D structure of 7alpha-Hydroxycholesterol-d7
CAS: 349553-94-2
CID: 3247055
Formula: C27H46O2
MW: 409.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.7
XLogP37.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass409.393717927
Monoisotopic Mass409.393717927
Topological Polar Surface Area40.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity624
Isotope Atom Count7
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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