1229-24-9

Basic information

• Product Name: 6ALPHA-HYDROXYESTRADIOL
• Synonyms: 3,6ALPHA,17BETA-TRIHYDROXY-1,3,5[10]-ESTRATRIENE;6ALPHA-HYDROXYESTRADIOL;6-ALPHA-HYDROXY 17-BETA-ESTRADIOL;1,3,5[10]-ESTRATRIENE-3,6ALPHA,17BETA-TRIOL;1,3,5(10)-ESTRATRIEN-3,6-ALPHA, 17-BETA-TRIOL;6A-hydroxyestradiol;6α-Hydroxyestradiol;6α-Hydroxy 17β-Estradiol
• CAS NO: 1229-24-9
• Molecular Formula: C18H24O3
• Molecular Weight: 288.38
• Product Categories: Intermediates & Fine Chemicals;Pharmaceuticals;Steroids
• Mol File: 1229-24-9.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 492 °C at 760 mmHg
• Flash Point: 233.2 °C
• Appearance: /
• Density: 1.255 g/cm³
• Vapor Pressure: 1.69E-10mmHg at 25°C
• Refractive Index: 1.624
• Storage Temp.: 2-8°C
• Solubility: DMSO (Slightly), Ethanol (Slightly, Sonicated), Methanol (Slightly)
• CAS DataBase Reference: 6ALPHA-HYDROXYESTRADIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 6ALPHA-HYDROXYESTRADIOL(1229-24-9)
• EPA Substance Registry System: 6ALPHA-HYDROXYESTRADIOL(1229-24-9)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-40
• Safety Statements: 22-26-36
• WGK Germany: 3
• Hazardous Substances Data: 1229-24-9(Hazardous Substances Data)

Usage

Uses

A metabolite of Estradiol (E888000).

InChI:InChI=1/C18H24O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15-17,19-21H,4-7,9H2,1H3/t12-,13-,15+,16+,17+,18+/m1/s1

Upstream product

• 50-28-2 estradiol 
• 53749-70-5 3,17β-bis(2-tetrahydropyranyloxy)estra-1,3,5-trien-6α-ol 
• 3434-45-5 6-oxo-3,17β-estradiol diacetate 

Relevant articles and documents

Microbial hydroxylation of 17β-estradiol by Penicillium brevicompactum

Microbial hydroxylation of 17β-estradiol (1) with Penicillium brevicompactum, a fungal species not used in biotransformation so far, yielded four metabolites: 1, 3, 5-estratriene-3, 15α-diol-17-one (2); 1, 3, 5-estratriene-3, 6α, 17β-triol (3); 1, 3, 5-estratriene-3, 15α, 17β-triol (4); and 1, 3, 5-estratriene-3, 6α, 15α-triol-17-one (5). All the products were determined by 1H NMR, 13C NMR, two-dimensional NMR, and HRMS techniques. Compounds 3, 4, and 5 are reported for the first time via microbial transformation, and 5 is a new compound as far as we know. Possible metabolic pathway of 17β-estradiol via Penicillium brevicompactum was also proposed.

STUDIES ON THE METABOLISM OF STEROID HORMONES IN VERTEBRATES. II.

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