3β-Acetoxyandrosta-5,16-dien-17-yl trifluoromethanesulfonate

CAS Registry Number®

115375-60-5

CAS Name

3β-Acetoxyandrosta-5,16-dien-17-yl trifluoromethanesulfonate

Molecular Formula

C22H29F3O5S

Molecular Mass

462.52

Cite this Page

3β-Acetoxyandrosta-5,16-dien-17-yl trifluoromethanesulfonate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=115375-60-5 (retrieved 2024-11-22) (CAS RN: 115375-60-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    75-76 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H29F3O5S/c1-13(26)29-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(21(17,3)11-9-18(16)20)30-31(27,28)22(23,24)25/h4,7,15-18H,5-6,8-12H2,1-3H3/t15-,16-,17-,18-,20-,21-/m0/s1

InChIKey

InChIKey=MCIVSCZCJRGEJR-ZKHIMWLXSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(=CC3)C[C@@H](OC(C)=O)CC4)(CC1)[H])[H])(CC=C2OS(C(F)(F)F)(=O)=O)[H]

Canonical SMILES

O=C(OC1CC2=CCC3C4CC=C(OS(=O)(=O)C(F)(F)F)C4(C)CCC3C2(C)CC1)C

Other Names for this Substance

  • Androsta-5,16-diene-3,17-diol, 3-acetate 17-(trifluoromethanesulfonate), (3β)-
  • 3β-Acetoxyandrosta-5,16-dien-17-yl trifluoromethanesulfonate