(3α,5α)-3-Hydroxy-3-(trifluoromethyl)pregnan-20-one

CAS Registry Number®

177080-77-2

CAS Name

(3α,5α)-3-Hydroxy-3-(trifluoromethyl)pregnan-20-one

Molecular Formula

C22H33F3O2

Molecular Mass

386.49

Cite this Page

(3α,5α)-3-Hydroxy-3-(trifluoromethyl)pregnan-20-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=177080-77-2 (retrieved 2024-11-22) (CAS RN: 177080-77-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H33F3O2/c1-13(26)16-6-7-17-15-5-4-14-12-21(27,22(23,24)25)11-10-19(14,2)18(15)8-9-20(16,17)3/h14-18,27H,4-12H2,1-3H3/t14-,15-,16+,17-,18-,19-,20+,21+/m0/s1

InChIKey

InChIKey=BLMOPJSSNJGYSZ-MQPLVTADSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@H](C(C)=O)CC4)[H])(CC[C@]1(C[C@](C(F)(F)F)(O)CC2)[H])[H])[H]

Canonical SMILES

O=C(C)C1CCC2C3CCC4CC(O)(CCC4(C)C3CCC12C)C(F)(F)F

Other Names for this Substance

  • Pregnan-20-one, 3-hydroxy-3-(trifluoromethyl)-, (3α,5α)-
  • (3α,5α)-3-Hydroxy-3-(trifluoromethyl)pregnan-20-one
  • Co 2-1970
  • 3α-Hydroxy-3β-(trifluoromethyl)-5α-pregnan-20-one

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