(7α,17β)-3,17-Dihydroxy-7-[9-[(4,4,5,5,5-pentafluoropentyl)thio]nonyl]estra-1,3,5(10)-trien-6-one
CAS Registry Number®
1107606-70-1
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CAS Name
(7α,17β)-3,17-Dihydroxy-7-[9-[(4,4,5,5,5-pentafluoropentyl)thio]nonyl]estra-1,3,5(10)-trien-6-oneMolecular Formula
C32H45F5O3SMolecular Mass
604.75Cite this Page
(7α,17β)-3,17-Dihydroxy-7-[9-[(4,4,5,5,5-pentafluoropentyl)thio]nonyl]estra-1,3,5(10)-trien-6-one. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1107606-70-1 (retrieved ) (CAS RN: 1107606-70-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C32H45F5O3S/c1-30-17-15-23-22-12-11-21(38)20-25(22)29(40)24(28(23)26(30)13-14-27(30)39)10-7-5-3-2-4-6-8-18-41-19-9-16-31(33,34)32(35,36)37/h11-12,20,23-24,26-28,38-39H,2-10,13-19H2,1H3/t23-,24+,26+,27+,28+,30+/m1/s1
InChIKey
InChIKey=MGJKDKSBKCPJCM-GYKPOOFLSA-N
SMILES
C(CCCCCCCCSCCCC(C(F)(F)F)(F)F)[C@H]1[C@@]2([C@@](C=3C(C1=O)=CC(O)=CC3)(CC[C@@]4(C)[C@]2(CC[C@@H]4O)[H])[H])[H]
Canonical SMILES
O=C1C2=CC(O)=CC=C2C3CCC4(C)C(O)CCC4C3C1CCCCCCCCCSCCCC(F)(F)C(F)(F)F
Other Names for this Substance
- Estra-1,3,5(10)-trien-6-one, 3,17-dihydroxy-7-[9-[(4,4,5,5,5-pentafluoropentyl)thio]nonyl]-, (7α,17β)-
- (7α,17β)-3,17-Dihydroxy-7-[9-[(4,4,5,5,5-pentafluoropentyl)thio]nonyl]estra-1,3,5(10)-trien-6-one
