(11β,17β)-11-[4-[[5-[(4,4,5,5,5-Pentafluoropentyl)sulfonyl]pentyl]oxy]phenyl]estra-1,3,5(10)-triene-3,17-diol

CAS Registry Number®

151555-47-4

CAS Name

(11β,17β)-11-[4-[[5-[(4,4,5,5,5-Pentafluoropentyl)sulfonyl]pentyl]oxy]phenyl]estra-1,3,5(10)-triene-3,17-diol

Molecular Formula

C34H43F5O5S

Molecular Mass

658.76

Cite this Page

(11β,17β)-11-[4-[[5-[(4,4,5,5,5-Pentafluoropentyl)sulfonyl]pentyl]oxy]phenyl]estra-1,3,5(10)-triene-3,17-diol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=151555-47-4 (retrieved 2024-11-22) (CAS RN: 151555-47-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H43F5O5S/c1-32-21-28(31-26-13-9-24(40)20-23(26)8-12-27(31)29(32)14-15-30(32)41)22-6-10-25(11-7-22)44-17-3-2-4-18-45(42,43)19-5-16-33(35,36)34(37,38)39/h6-7,9-11,13,20,27-31,40-41H,2-5,8,12,14-19,21H2,1H3/t27-,28+,29-,30-,31+,32-/m0/s1

InChIKey

InChIKey=SDCUWFRXMLQNCS-LFAPAAFUSA-N

SMILES

C[C@@]12[C@]([C@]3([C@]([C@H](C1)C4=CC=C(OCCCCCS(CCCC(C(F)(F)F)(F)F)(=O)=O)C=C4)(C=5C(CC3)=CC(O)=CC5)[H])[H])(CC[C@@H]2O)[H]

Canonical SMILES

O=S(=O)(CCCCCOC1=CC=C(C=C1)C2CC3(C)C(O)CCC3C4CCC5=CC(O)=CC=C5C24)CCCC(F)(F)C(F)(F)F

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,17-diol, 11-[4-[[5-[(4,4,5,5,5-pentafluoropentyl)sulfonyl]pentyl]oxy]phenyl]-, (11β,17β)-
  • (11β,17β)-11-[4-[[5-[(4,4,5,5,5-Pentafluoropentyl)sulfonyl]pentyl]oxy]phenyl]estra-1,3,5(10)-triene-3,17-diol
  • RU 58668

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