(11β,17α)-20,20,21,21,21-Pentafluoro-17-hydroxy-11-[4-(methylsulfonyl)phenyl]-19-norpregna-4,9-dien-3-one

CAS Registry Number®

1262108-14-4

CAS Name

(11β,17α)-20,20,21,21,21-Pentafluoro-17-hydroxy-11-[4-(methylsulfonyl)phenyl]-19-norpregna-4,9-dien-3-one

Molecular Formula

C27H29F5O4S

Molecular Mass

544.57

Cite this Page

(11β,17α)-20,20,21,21,21-Pentafluoro-17-hydroxy-11-[4-(methylsulfonyl)phenyl]-19-norpregna-4,9-dien-3-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1262108-14-4 (retrieved 2024-11-21) (CAS RN: 1262108-14-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H29F5O4S/c1-24-14-21(15-3-7-18(8-4-15)37(2,35)36)23-19-10-6-17(33)13-16(19)5-9-20(23)22(24)11-12-25(24,34)26(28,29)27(30,31)32/h3-4,7-8,13,20-22,34H,5-6,9-12,14H2,1-2H3/t20-,21+,22-,24-,25-/m0/s1

InChIKey

InChIKey=JUFWQQVHQFDUOD-ANRPBIDPSA-N

SMILES

C[C@@]12[C@]([C@]3(C([C@H](C1)C4=CC=C(S(C)(=O)=O)C=C4)=C5C(CC3)=CC(=O)CC5)[H])(CC[C@]2(C(C(F)(F)F)(F)F)O)[H]

Canonical SMILES

O=C1C=C2C(=C3C(C4=CC=C(C=C4)S(=O)(=O)C)CC5(C)C(CCC5(O)C(F)(F)C(F)(F)F)C3CC2)CC1

Other Names for this Substance

  • 19-Norpregna-4,9-dien-3-one, 20,20,21,21,21-pentafluoro-17-hydroxy-11-[4-(methylsulfonyl)phenyl]-, (11β,17α)-
  • (11β,17α)-20,20,21,21,21-Pentafluoro-17-hydroxy-11-[4-(methylsulfonyl)phenyl]-19-norpregna-4,9-dien-3-one
  • Vilaprisan
  • BAY 1002670
  • 20,20,21,21,21-Pentafluoro-17-hydroxy-11β-[4-(methylsulfonyl)phenyl]-19-nor-17α-pregna-4,9-dien-3-one