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3β-hydroxy-5α-cholest-8(14)-en-15-one - >99%, high purity , CAS No.50673-97-7

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3β-hydroxy-5α-cholest-8(14)-en-15-one - >99%, high purity , CAS No.50673-97-7

COA

Grade & Purity:

≥99%

Cas Number: 50673-97-7
Molecular Weight: 400.637
PubChem CID: 10046567

In stock

Item Number

H130167

Grouped product items
SKU	Size	Availability	Price
H130167-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$549.90
H130167-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,750.90
H130167-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,387.90

Basic Description

Synonyms	(3beta,5alpha)-3-hydroxycholest-8(14)-en-15-one \| (3beta,5alpha)-3-hydroxycholest-8(14)en-15-one \| Cholest-8(14)-en-3-ol-15-one \| D03583 \| SMP2_000324 \| Cholest-8(14)-en-15-one, 3-hydroxy-, (3beta,5alpha)- \| DTXCID4026212 \| LINVVMHRTUSXHL-GGVPDPBRSA-N \| N
Specifications & Purity	≥99%
Shipped In	Normal

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	Oxosteroids 3-beta-hydroxysteroids Secondary alcohols Ketones Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Cholesterol-skeleton - 3-hydroxysteroid - Hydroxysteroid - 15-oxosteroid - Oxosteroid - 3-beta-hydroxysteroid - Cyclic alcohol - Ketone - Secondary alcohol - Organooxygen compound - Alcohol - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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

Associated Targets(Human)

HMGCR Tclin HMG-CoA reductase (2475 Activities)

Discover Target: HMGCR

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	(3S,5S,9R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
INCHI	InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)23-16-24(29)25-21-10-9-19-15-20(28)11-13-26(19,4)22(21)12-14-27(23,25)5/h17-20,22-23,28H,6-16H2,1-5H3/t18-,19+,20+,22+,23-,26+,27-/m1/s1
InChIKey	LINVVMHRTUSXHL-GGVPDPBRSA-N
Smiles	CC(C)CCCC(C)C1CC(=O)C2=C3CCC4CC(CCC4(C3CCC12C)C)O
Isomeric SMILES	C[C@H](CCCC(C)C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@H](CC[C@@]4([C@H]3CC[C@]12C)C)O
Molecular Weight	400.637
Reaxy-Rn	37912599
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37912599&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	400.600 g/mol
XLogP3	7.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	400.334 Da
Monoisotopic Mass	400.334 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	676.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
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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