Beta-Cortol - Moligand™,≥98% , CAS No.667-65-2

CAS: 667-65-2 Cat. No.: B1051826 Formule: C₂₁H₃₆O₅ Poids moléculaire: 368.51

GRADE & PURITY Moligand™, ≥98%

Synonyms

5β-Pregnan-3α,11β,17,20β,21-pentol | NSC 58792 | NSC 58792

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

β-Cortol is an endogenous metabolite of cortisol.it is formedfrom cortisol via the intermediate metabolite 5B-tetrahydrocortisol, which is dehydrogenated by20B-hydroxysteroid dehydrogenase (20B-HSD) in the liver to produce B-cortol.2 Urinary levels of B-cortolhave been used as a marker for cortisol production and are associated with metabolic syndrome in obeseindividuals.

Specifications

Synonymes

5β-Pregnan-3α,11β,17,20β,21-pentol | NSC 58792 | NSC 58792

Spécifications et pureté

Moligand™,≥98%

Conditions de stockage de stockage

Protected from light,Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: CC12CCC(CC1CCC3C2C(CC4(C3CCC4(C(CO)O)O)C)O)O
• IUPAC Name: (3R,5R,8S,9S,10S,11S,13S,14S,17R)-17-[(1R)-1,2-dihydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,11,17-triol
• InChIKey: FFPUNPBUZDTHJI-ZFOKFBPFSA-N
• INCHI: 1S/C21H36O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-18,22-26H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17-,18-,19+,20+,21+/m1/s1
• Isomères SMILES: C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4([C@@H](CO)O)O)C)O)O
• CAS alternatif: 667-65-2
• Numéro NSC: 58792
• Poids moléculaire: 368.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Steroids and steroid derivatives
      • Subclass Hydroxysteroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Steroids and steroid derivatives
• Subclass: Hydroxysteroids
• Intermediate Tree Nodes: Not available
• Direct Parent: 21-hydroxysteroids
• Alternative Parents: Gluco/mineralocorticoids, progestogins and derivatives 3-alpha-hydroxysteroids 17-hydroxysteroids 11-beta-hydroxysteroids Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Polyols Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Progestogin-skeleton - 21-hydroxysteroid - Pregnane-skeleton - 3-hydroxysteroid - 11-beta-hydroxysteroid - 11-hydroxysteroid - 3-alpha-hydroxysteroid - 17-hydroxysteroid - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Polyol - Primary alcohol - Organooxygen compound - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone.
• External Descriptors: Not available

Data sources

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

Propriétés chimiques et physiques

• Solubilité: DMSO: soluble；Ethanol: slightly soluble；Methanol: slightly soluble；Pyridine: soluble
• Sensibilité: Light sensitive
• Poids moléculaire: 368.500 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 368.256 Da
• Monoisotopic Mass: 368.256 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 555.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 667-65-2, the molecular formula is C21H36O5, and the molecular weight is 368.51 g/mol. InChIKey FFPUNPBUZDTHJI-ZFOKFBPFSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.