966-06-3

Basic information

• Product Name: (8R,9S,13S,14S)-3,16-dihydroxy-13-methyl-7,8,9,11,12,14,15,16 octahydro-6H-cyclopenta[a]phenanthren-17-one
• Synonyms: (8R,9S,13S,14S)-3,16-dihydroxy-13-methyl-7,8,9,11,12,14,15,16 octahydro-6H-cyclopenta[a]phenanthren-17-one;16b-Hydroxyestrone
• CAS NO: 966-06-3
• Molecular Formula: C18H22O3
• Molecular Weight: 0
• Mol File: 966-06-3.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 493.2°Cat760mmHg
• Flash Point: 266.2°C
• Appearance: /
• Density: 1.249g/cm³
• Vapor Pressure: 1.53E-10mmHg at 25°C
• Refractive Index: 1.611
• CAS DataBase Reference: (8R,9S,13S,14S)-3,16-dihydroxy-13-methyl-7,8,9,11,12,14,15,16 octahydro-6H-cyclopenta[a]phenanthren-17-one(CAS DataBase Reference)
• NIST Chemistry Reference: (8R,9S,13S,14S)-3,16-dihydroxy-13-methyl-7,8,9,11,12,14,15,16 octahydro-6H-cyclopenta[a]phenanthren-17-one(966-06-3)
• EPA Substance Registry System: (8R,9S,13S,14S)-3,16-dihydroxy-13-methyl-7,8,9,11,12,14,15,16 octahydro-6H-cyclopenta[a]phenanthren-17-one(966-06-3)

Safety Data

• Hazardous Substances Data: 966-06-3(Hazardous Substances Data)

Usage

Definition

ChEBI: A 3-hydroxy steroid that is estrone substituted by a beta-hydroxy group at position 16.

InChI:InChI=1/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,18+/m1/s1

Upstream product

• 20592-42-1 estra-1,3,5⁽¹⁰⁾,16-tetraene-3,17-diol diacetate 
• 1247-70-7 3,16β-diacetoxyestra-1,3,5(10)-trien-17-one 
• 901-93-9 oestrone acetate 

Downstream Products

• 1247-70-7 3,16β-diacetoxyestra-1,3,5(10)-trien-17-one 

Relevant articles and documents

Alternative synthesis for the preparation of 16α-[ 18F]fluoroestradiol

We have developed a new precursor, 3,17β-O-bis(methoxymethyl)- 16β-O-p-nitrobenzenesulfonylestriol (14c) of 16α-[ 18F]fluoroestradiol ([18F]FES). Although we could not selectively protect the C17 alcohol in the presence of the C16 al