Equilenin - Moligand™,≥98% , CAS No.517-09-9

CAS: 517-09-9 Cat. No.: E489301 Formule: C₁₈H₁₈O₂ Poids moléculaire: 266.33 Numéro CE: 208-230-5

GRADE & PURITY Moligand™, ≥98%

Synonyms

d-Equilenin | E 400 | NSC 9901 | 3-hydroxy-estra-1,3,5(10),6,8-pentaen-17-one | 3-Hydroxyestra-1,3,5(10),6,8-pentaen-17-one | (+)-Equilenin | EQU | 3-Hydroxyestra-1,3,5,7,9-pentaen-17-one | W8FTJ17C4J

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Equilenin is an equine estrogen found in the urine of pregnant mares. It is also a naturally fluorescent steroid, has a high binding affinity for human sex steroid-binding protein (SBP).

Specifications

Synonymes

d-Equilenin | E 400 | NSC 9901 | 3-hydroxy-estra-1,3,5(10),6,8-pentaen-17-one | 3-Hydroxyestra-1,3,5(10),6,8-pentaen-17-one | (+)-Equilenin | EQU | 3-Hydroxyestra-1,3,5,7,9-pentaen-17-one | W8FTJ17C4J

Spécifications et pureté

Moligand™,≥98%

Conditions de stockage de stockage

Protected from light,Store at -20°C,Argon charged

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

CC12CCC3=C(C1CCC2=O)C=CC4=C3C=CC(=C4)O

IUPAC Name

(13S,14S)-3-hydroxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one

InChIKey

PDRGHUMCVRDZLQ-WMZOPIPTSA-N

INCHI

1S/C18H18O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16,19H,6-9H2,1H3/t16-,18-/m0/s1

Isomères SMILES

C[C@]12CCC3=C([C@@H]1CCC2=O)C=CC4=C3C=CC(=C4)O

Poids moléculaire

266.33

Reaxy-Rn

2057582

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2057582&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Steroids and steroid derivatives
• Subclass: Estrane steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Estrogens and derivatives
• Alternative Parents: 3-hydroxy delta-7-steroids 17-oxosteroids Delta-7-steroids Phenanthrols Naphthols and derivatives Tetralins 1-hydroxy-2-unsubstituted benzenoids Ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Estrogen-skeleton - 3-hydroxy-delta-7-steroid - 3-hydroxysteroid - Hydroxysteroid - Oxosteroid - 17-oxosteroid - Delta-7-steroid - Phenanthrol - Phenanthrene - 2-naphthol - Naphthalene - Tetralin - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Ketone - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane.
• External Descriptors: C18 steroids (estrogens) and derivatives

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

Cibles associées (humaines)

SHBG Tchem Sex hormone-binding globulin (1 Activities)

Discover Target: SHBG

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Homo sapiens (32628 Activities)

Explore this target

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

HL-60 (67320 Activities)

Explore this target

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

Cibles associées (non humaines)

Shbg Testis-specific androgen-binding protein (10 Activities)

Discover Target: Shbg

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

SULT1E1 Estrogen sulfotransferase (8 Activities)

Discover Target: SULT1E1

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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Light sensitive
• Point d'ébullition (°C): 84° C
• Point de fusion (°C): 258.5 °C
• Poids moléculaire: 266.300 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 266.131 Da
• Monoisotopic Mass: 266.131 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 418.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 517-09-9, the molecular formula is C18H18O2, and the molecular weight is 266.33 g/mol. InChIKey PDRGHUMCVRDZLQ-WMZOPIPTSA-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.