Hexestrol diacetate

Hexestrol diacetate
Identifiers
	IUPAC name [4-[(3S,4R)-4-(4-acetyloxyphenyl)hexan-3-yl]phenyl] acetate;
CAS Number	4547-76-6;
PubChem CID	656653;
ChemSpider	571002;
UNII	0432698UA0;
KEGG	D02018;
Chemical and physical data
Formula	C22H26O4
Molar mass	354.446 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CCC(C1=CC=C(C=C1)OC(=O)C)C(CC)C2=CC=C(C=C2)OC(=O)C;
	InChI InChI=1S/C22H26O4/c1-5-21(17-7-11-19(12-8-17)25-15(3)23)22(6-2)18-9-13-20(14-10-18)26-16(4)24/h7-14,21-22H,5-6H2,1-4H3/t21-,22+; Key:GWEREDCWIUZACS-SZPZYZBQSA-N;

Hexestrol diacetate (JAN) (brand names Retalon Lingual, Robal, Sintestrol, Sintofolin) is a synthetic, nonsteroidal estrogen of the stilbestrol group related to diethylstilbestrol.^[1] It is an ester of hexestrol,^[1] and was discovered in 1939.^[2]

References

^ ^a ^b Elks J, Ganellin CR, eds. (14 November 2014). The Dictionary of Drugs: Chemical Data: Chemical Data, Structures and Bibliographies. Springer. p. 163. doi:10.1007/978-1-4757-2085-3. ISBN 978-1-4757-2085-3.
^ Foreman EL, Miller CO (1941). "Synthetic Estrogenic Substances. II. Hexesterol and Some of its Esters". Journal of the American Chemical Society. 63 (8): 2240. doi:10.1021/ja01853a060.

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Identifiers

IUPAC name [4-[(3S,4R)-4-(4-acetyloxyphenyl)hexan-3-yl]phenyl] acetate
CAS Number	4547-76-6
PubChem CID	656653
ChemSpider	571002
UNII	0432698UA0
KEGG	D02018
Chemical and physical data
Formula	C₂₂H₂₆O₄
Molar mass	354.446 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CCC(C1=CC=C(C=C1)OC(=O)C)C(CC)C2=CC=C(C=C2)OC(=O)C
InChI InChI=1S/C22H26O4/c1-5-21(17-7-11-19(12-8-17)25-15(3)23)22(6-2)18-9-13-20(14-10-18)26-16(4)24/h7-14,21-22H,5-6H2,1-4H3/t21-,22+ Key:GWEREDCWIUZACS-SZPZYZBQSA-N