Equilenin

CAS: 517-09-9

Ref. TR-E592400

Product Information

• Name: Equilenin
• Synonyms: (13S,14S)-3-hydroxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one, 3-Hydroxyestra-1,3,5(10),6,8-Pentaen-17-One, 3-Hydroxyestra-1,3,5,7,9-pentaen-17-one, E 400, Equilenine, Estra-1,3,5,7,9-pentaen-17-one, 3-hydroxy-, NSC 9901, d-Equilenin
• CAS: 517-09-9

Description

Applications Equilenin is a naturally occuring estrogenic steroidal hormone (1,2) isolated from urine of pregnant mares (3). Not found in human urine. Component of conjugated estrogenic hormones. Estrogen. This compound is a contaminant of emerging concern (CECs). Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA), environmental, and food contaminants.
References 1. Corbellini, A. et L.: Farmaco Sci. 1964 Nov;19:913-22.2. Stein, R. et al.: Tetrahedron 1970 Apr;26(8):1917-33.3. Nett, T. et al.: J. Reprod. Fertil. Suppl. 1975 Oct;(23):457-62.

• Brand: TRC

Chemical properties

• Molecular weight: 266.33
• Formula: C₁₈H₁₈O₂
• Color/Form: Light Beige To Light Yellow
• InChI: InChI=1S/C18H18O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16,19H,6-9H2,1H3/t16-,18-/m0/s1
• InChI key: InChIKey=PDRGHUMCVRDZLQ-WMZOPIPTSA-N
• SMILES: C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CCC2=O