Equilenin-d3

CAS: 56588-54-6

Ref. TR-E592402

Product Information

• Name: Equilenin-d3
• Synonyms: (13S,14S)-4,16,16-trideuterio-3-hydroxy-13-methyl-11,12,14,15-tetrahydrocyclopenta[a]phenanthren-17-one, Equilenin-4,16,16-D3
• CAS: 56588-54-6

Description

Applications Isotope labelled Equilenin (E592400), which 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.

• Brand: TRC

Chemical properties

• Molecular weight: 269.35
• Formula: C₁₈H₃H₁₅O₂
• Color/Form: White To Light Brown
• 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/i7D2,10D
• InChI key: InChIKey=PDRGHUMCVRDZLQ-POWJHRNTSA-N
• SMILES: [2H]c1c(O)ccc2c3c(ccc12)[C@@H]1CC([2H])([2H])C(=O)[C@@]1(C)CC3