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5β-Cholestan-3α-ol - ≥95%, high purity , CAS No.516-92-7

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5β-Cholestan-3α-ol - ≥95%, high purity , CAS No.516-92-7

COA

Grade & Purity:

≥95%

Cas Number: 516-92-7
Molecular Weight: 388.67
MDL number: MFCD00064143
PubChem CID: 91465

In stock

Item Number

C463469

Grouped product items
SKU	Size	Availability	Price
C463469-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,001.90
C463469-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,478.90
C463469-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,813.90

Basic Description

Synonyms	LMST04030110 \| SCHEMBL22387 \| Epicoprosterol \| 8-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid \| HY-W127498 \| QYIXCDOBOSTCEI-KKFSNPNRSA-N \| CHEBI:171890 \| UNII-UFH3K1F9EG \| epi-Coprosterol \| Q27291059 \| 5beta-Cholestan-3alpha-ol \| DTXSID7046700 \| fl
Specifications & Purity	≥95%
Biochemical and Physiological Mechanisms	5β-Cholestan-3α-ol is a sterol produced endogenously from cholesterol and has been isolated from feces of human and rats. It is derived from cholesterol by the action of intestinal microorganisms.
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	Description 5β-Cholestan-3α-ol was used as internal standard for analysis of sterols in plasma by GC and HPLC.

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-alpha-hydroxysteroids Secondary alcohols Cyclic alcohols and derivatives Hydrocarbon derivatives
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Cholesterol-skeleton - Cholesterol - 3-alpha-hydroxysteroid - Hydroxysteroid - 3-hydroxysteroid - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen 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	C27 bile acids, alcohols, 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

Associated Targets(Human)

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
INCHI	InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20-,21-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey	QYIXCDOBOSTCEI-KKFSNPNRSA-N
Smiles	CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
Isomeric SMILES	C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C
WGK Germany	3
Molecular Weight	388.67
Reaxy-Rn	1914455
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1914455&ln=

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	113-114° C
Molecular Weight	388.700 g/mol
XLogP3	9.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	388.371 Da
Monoisotopic Mass	388.371 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	540.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
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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