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Crystal structure of estradiol 17β valerate (Delestrogen), C23H32O3

Published online by Cambridge University Press:  22 March 2018

Austin M. Wheatley ,
James A. Kaduk ,
Amy M. Gindhart  and
Thomas N. Blanton
Austin M. Wheatley
Affiliation:
North Central College, 30 N. Brainard St., Naperville, Illinois 60540
James A. Kaduk*
Affiliation:
Illinois Institute of Technology, 3101 S. Dearborn St., Chicago IL 60616 and North Central College, 30 N. Brainard St., Naperville, Illinois 60540, USA
Amy M. Gindhart
Affiliation:
ICDD, 12 Campus Blvd., Newtown Square, Pennsylvania 19073-3273
Thomas N. Blanton
Affiliation:
ICDD, 12 Campus Blvd., Newtown Square, Pennsylvania 19073-3273
*
a)Author to whom correspondence should be addressed. Electronic mail: kaduk@polycrystallography.com
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Abstract

Estradiol valerate (brand name: Delestrogen) is used as a hormone replacement therapy for menopause symptoms and for treating advanced prostate cancer. Commercial estradiol 17β valerate crystallizes in the monoclinic space group P21 with a = 7.36787(3), b = 19.84900(6), c = 13.99395(10) Å, β = 90.6845(5)°, V = 2046.398(18) Å3, and Z = 4.

Keywords

estradiol valeratepowder diffractionRietveld refinementdensity functional theory
Type
Data Reports
Information
Powder Diffraction , Volume 33 , Issue 1 , March 2018 , pp. 70 - 71
Copyright
Copyright © International Centre for Diffraction Data 2018 

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References

Ellena, J., de Paula, K., de Melo, C. C., da Silva, C. C. P., Bezerra, B. P., Venâncio, T. and Ayala, A. P. (2014). “Temperature-driven isosymmetric reversible phase transition of the hormone estradiol 17β valerate,” Cryst. Growth Des. 14, 5700–5709.CrossRefGoogle Scholar
Groom, C. R., Bruno, I. J., Lightfoot, M. P., and Ward, S. C. (2016). “The Cambridge structural database,” Acta Crystallogr. B: Struct. Sci., Cryst. Eng. Mater. 72, 171–179.Google Scholar
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