570-30-9

Basic information

• Product Name: 1,3,5(10)-ESTRATRIEN-3,15-ALPHA, 17-BETA-TRIOL
• Synonyms: 1,3,5(10)-ESTRATRIEN-3,15-ALPHA, 17-BETA-TRIOL;15ALPHA-ESTRIOL;15-ALPHA-HYDROXY-17-BETA-ESTRADIOL;15ALPHA-HYDROXYESTRADIOL;Estra-1,3,5(10)-triene-3,15,17-triol;Estra-1,3,5(10)-triene-3,15,17-triol, (15alpha,17beta)-;1,3,5(10)-Estratriene-3,15α,17β-triol;15α-Hydroxy-17β-estradiol
• CAS NO: 570-30-9
• Molecular Formula: C18H24O3
• Molecular Weight: 288.38
• Mol File: 570-30-9.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 493.1°C at 760 mmHg
• Flash Point: 233.7°C
• Appearance: /
• Density: 1.255g/cm³
• Vapor Pressure: 1.54E-10mmHg at 25°C
• Refractive Index: 1.624
• CAS DataBase Reference: 1,3,5(10)-ESTRATRIEN-3,15-ALPHA, 17-BETA-TRIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,5(10)-ESTRATRIEN-3,15-ALPHA, 17-BETA-TRIOL(570-30-9)
• EPA Substance Registry System: 1,3,5(10)-ESTRATRIEN-3,15-ALPHA, 17-BETA-TRIOL(570-30-9)

Safety Data

• Hazardous Substances Data: 570-30-9(Hazardous Substances Data)

Usage

Definition

ChEBI: A 3-hydroxy steroid that is 17beta-estradiol substituted by an alpha-hydroxy group at position 15.

InChI:InChI=1/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)17(18)15(20)9-16(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,17-,18-/m1/s1

Upstream product

• 34603-45-7 estra-1,3,5⁽¹⁰⁾,14,16-pentaen-3,17-diyl diacetate 
• 58699-18-6 3,17β-bis(tert-butyldimethylsilyloxy)-estra-1,3,5(10)-trien-15α-ol 
• 2208-13-1 3,15α-dihydroxy-1,3,5(10)-estratrien-17-one 
• 50-28-2 estradiol 
• 58699-19-7 14-Dehydroestradiol-17β 
• 59169-10-7 17-oxoestra-1,3,5⁽¹⁰⁾,15-tetraen-3-yl acetate 
• 58699-14-2 estra-1,3,5(10),15-tetraene-3,17β-diol 
• 53-16-7 Estrone 
• 58699-15-3 3,17β-bis(tert-butyldimethylsiloxy)estra-1,3,5(10),15-tetraene 
• 58699-16-4 (8R,9S,13S,17S)-3,17-Bis-(tert-butyl-dimethyl-silanyloxy)-13-methyl-7,8,9,11,12,13,16,17-octahydro-6H-cyclopenta[a]phenanthrene 

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.