Estra-1,3,5(10),16-tetraene-3,17-diol diacetate

Modify Date: 2025-09-18 20:34:18

Estra-1,3,5(10),16-tetraene-3,17-diol diacetate Structure
Estra-1,3,5(10),16-tetraene-3,17-diol diacetate structure
Common Name Estra-1,3,5(10),16-tetraene-3,17-diol diacetate
CAS Number 20592-42-1 Molecular Weight 354.43900
Density 1.19g/cm3 Boiling Point 490.8ºC at 760 mmHg
Molecular Formula C22H26O4 Melting Point N/A
MSDS N/A Flash Point 245.3ºC

 Names

Name (3-acetyloxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl) acetate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.19g/cm3
Boiling Point 490.8ºC at 760 mmHg
Molecular Formula C22H26O4
Molecular Weight 354.43900
Flash Point 245.3ºC
Exact Mass 354.18300
PSA 52.60000
LogP 4.52490
Vapour Pressure 8.84E-10mmHg at 25°C
Index of Refraction 1.576
InChIKey KPJNGUPMJAHAND-JBPLPALLSA-N
SMILES CC(=O)OC1=CCC2C3CCc4cc(OC(C)=O)ccc4C3CCC12C

 Synthetic Route

~87%

Estra-1,3,5(10),16-tetraene-3,17-diol diacetate Structure

Estra-1,3,5(10)...

CAS#:20592-42-1

Literature: ESTETRA S.A.; PASCAL, Jean-Claude Patent: WO2012/164096 A1, 2012 ; Location in patent: Page/Page column 18 ;

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Estra-1,3,5(10),16-tetraene-3,17-diol diacetate Structure

Estra-1,3,5(10)...

CAS#:20592-42-1

Literature: Leeds et al. Journal of the American Chemical Society, 1954 , vol. 76, p. 2943,2947 Full Text Show Details Johnson et al. Journal of the American Chemical Society, 1957 , vol. 79, p. 1995,2003

 Synonyms

Estra-1,5(10),16-tetraene-3,17-diol,diacetate
3,17-Diacetoxy-oestra-1,3,5(10),16-tetraen
Estrone enol diacetate
estrone 3-acetate (17-enol acetate)
Estra-1,3,5(10),16-tetraene-3,17-diol diacetate
estra-1,3,5(10),16-tetraene-3,17-diyl diacetate
3,17-diacetoxy-estra-1,3,5(10),16-tetraene
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