CAS 129453-61-8: Estra-1,3,5(10)-triene-3,17-diol, 7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]-, (7α,17β)-
Description:Estra-1,3,5(10)-triene-3,17-diol, 7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]-, (7α,17β)-, identified by CAS number 129453-61-8, is a synthetic compound that belongs to the class of steroid hormones, specifically a derivative of estradiol. This compound features a complex structure characterized by a steroid backbone with multiple functional groups, including hydroxyl (-OH) groups and a sulfinyl group attached to a long alkyl chain. The presence of the pentafluoropentyl group enhances its lipophilicity, potentially affecting its biological activity and interaction with cellular membranes. The stereochemistry indicated by (7α,17β) suggests specific spatial arrangements of atoms that can influence the compound's pharmacological properties. Such compounds are often studied for their potential applications in hormone replacement therapy, contraceptives, or as research tools in endocrinology. However, detailed studies on its biological effects, pharmacokinetics, and toxicity would be necessary to fully understand its characteristics and potential uses.
Formula:C32H47F5O3S
InChI:InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1
InChI key:InChIKey=VWUXBMIQPBEWFH-WCCTWKNTSA-N
SMILES:O=S(CCCCCCCCCC1CC2=CC(O)=CC=C2C3CCC4(C)C(O)CCC4C31)CCCC(F)(F)C(F)(F)F
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