Hexestrol dicaprylate

Hexestrol dicaprylate
Identifiers
	IUPAC name [4-[4-(4-Octanoyloxyphenyl)hexan-3-yl]phenyl] octanoate;
CAS Number	20305-51-5;
PubChem CID	161308;
ChemSpider	141698;
UNII	J9DFR4IT9Z;
CompTox Dashboard (EPA)	DTXSID50942446 ;
Chemical and physical data
Formula	C34H50O4
Molar mass	522.770 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CCCCCCCC(=O)OC1=CC=C(C=C1)C(CC)C(CC)C2=CC=C(C=C2)OC(=O)CCCCCCC;
	InChI InChI=InChI=1S/C34H50O4/c1-5-9-11-13-15-17-33(35)37-29-23-19-27(20-24-29)31(7-3)32(8-4)28-21-25-30(26-22-28)38-34(36)18-16-14-12-10-6-2/h19-26,31-32H,5-18H2,1-4H3; Key:JZMCTYYCJNIOBO-UHFFFAOYSA-N;

Hexestrol dicaprylate (brand name Taston), or dioctanoylhexestrol, is a synthetic, nonsteroidal estrogen of the stilbestrol group related to diethylstilbestrol that is no longer marketed. It is a long-acting ester of hexestrol.

Identifiers

IUPAC name [4-[4-(4-Octanoyloxyphenyl)hexan-3-yl]phenyl] octanoate
CAS Number	20305-51-5
PubChem CID	161308
ChemSpider	141698
UNII	J9DFR4IT9Z
CompTox Dashboard (EPA)	DTXSID50942446
Chemical and physical data
Formula	C₃₄H₅₀O₄
Molar mass	522.770 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CCCCCCCC(=O)OC1=CC=C(C=C1)C(CC)C(CC)C2=CC=C(C=C2)OC(=O)CCCCCCC
InChI InChI=InChI=1S/C34H50O4/c1-5-9-11-13-15-17-33(35)37-29-23-19-27(20-24-29)31(7-3)32(8-4)28-21-25-30(26-22-28)38-34(36)18-16-14-12-10-6-2/h19-26,31-32H,5-18H2,1-4H3 Key:JZMCTYYCJNIOBO-UHFFFAOYSA-N