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cholest-5-ene-3β,25-diol-d6 - 99 atom % D, high purity , CAS No.88247-69-2

COA

Grade & Purity:

≥99 atom% D

Cas Number: 88247-69-2
Molecular Weight: 408.69
PubChem CID: 42608393

In stock

Item Number

C130202

Grouped product items
SKU	Size	Availability	Price	Qty
C130202-1mg	1mg	1	$995.90

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Endogenous Metabolite (959) Metabolic Enzyme/Protease (4860) Metabolite (5307)

Basic Description

Synonyms	25-hydroxycholesterol-d6 \| 26,26,26,27,27,27-hexadeuterocholest-5-ene-3β,25-diol \| 25-hydroxycholest-5-en-3-ol(d6) \| 25-Hydroxy Cholesterol-26,26,26,27,27,27-d6
Specifications & Purity	≥99 atom% D
Biochemical and Physiological Mechanisms	25-hydroxycholesterol is a liver X receptor ligand. This bioactive lipid regulates immune response and macrophages production from monocytes. 25-HC serves as an antiviral effector and may have therapeutic potential. It reduces cholesterol biosynthesis by
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	application： 25-hydroxycholesterol-d6 has been used as an internal standard: in the quantification of 25-OHC in jejunum samples by liquid chromatography with tandem mass spectrometry (LC-MS-MS) in plasma samples by liquid chromatography-mass spectrometry analysis for calibration curve generation for plasma oxysterol quantification

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Steroids and steroid derivatives
    - Subclass Cholestane steroids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Steroids and steroid derivatives
Subclass	Cholestane steroids
Intermediate Tree Nodes	Not available
Direct Parent	Cholesterols and derivatives
Alternative Parents	3-beta-hydroxysteroids 3-beta-hydroxy delta-5-steroids Delta-5-steroids Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Hydrocarbon derivatives
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Cholesterol - Cholesterol-skeleton - 25-hydroxysteroid - 3-beta-hydroxy-delta-5-steroid - Hydroxysteroid - 3-hydroxy-delta-5-steroid - 3-hydroxysteroid - 3-beta-hydroxysteroid - Delta-5-steroid - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as cholesterols and derivatives. These are compounds containing a 3-hydroxylated cholestane core.
External Descriptors	Cholesterol and derivatives
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-7,7,7-trideuterio-6-hydroxy-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
INCHI	InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1/i2D3,3D3
InChIKey	INBGSXNNRGWLJU-KHKDDIDZSA-N
Smiles	CC(CCCC(C)(C)O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
Isomeric SMILES	[2H]C([2H])([2H])C(CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)(C([2H])([2H])[2H])O
Alternate CAS	2140-46-7（unlabelled）
Molecular Weight	408.69
Reaxy-Rn	2062312
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2062312&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
J2330282	Certificate of Analysis	Oct 19, 2023	C130202
G2223257	Certificate of Analysis	Jul 14, 2022	C130202

Chemical and Physical Properties

Solubility	Chloroform (Slightly), DMSO (Slightly)
Melt Point(°C)	>155°C (dec.)
Molecular Weight	408.700 g/mol
XLogP3	6.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	408.387 Da
Monoisotopic Mass	408.387 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	636.000
Isotope Atom Count	6
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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