Androsta-3,5,16-trien-17-ol, 17-(1,1,1-trifluoromethanesulfonate)

CAS Registry Number®

154229-36-4
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CAS Name

Androsta-3,5,16-trien-17-ol, 17-(1,1,1-trifluoromethanesulfonate)

Molecular Formula

C20H25F3O3S

Molecular Mass

402.47

Cite this Page

Androsta-3,5,16-trien-17-ol, 17-(1,1,1-trifluoromethanesulfonate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=154229-36-4 (retrieved 2024-04-20) (CAS RN: 154229-36-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H25F3O3S/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(19(15,2)12-10-16(14)18)26-27(24,25)20(21,22)23/h3,5-6,9,14-16H,4,7-8,10-12H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1

InChIKey

InChIKey=HTQBXNHYTUSZON-QAGGRKNESA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(=CC3)C=CCC4)(CC1)[H])[H])(CC=C2OS(C(F)(F)F)(=O)=O)[H]

Canonical SMILES

O=S(=O)(OC1=CCC2C3CC=C4C=CCCC4(C)C3CCC12C)C(F)(F)F

Other Names for this Substance

  • Androsta-3,5,16-trien-17-ol, 17-(1,1,1-trifluoromethanesulfonate)
  • Androsta-3,5,16-trien-17-ol, trifluoromethanesulfonate

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