17-Oxoandrostan-3β-yl tosylate

CAS Registry Number®

10429-07-9
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CAS Name

17-Oxoandrostan-3β-yl tosylate

Molecular Formula

C26H36O4S

Molecular Mass

444.63

Cite this Page

17-Oxoandrostan-3β-yl tosylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=10429-07-9 (retrieved 2024-07-07) (CAS RN: 10429-07-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    164-165 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C26H36O4S/c1-17-4-7-20(8-5-17)31(28,29)30-19-12-14-25(2)18(16-19)6-9-21-22-10-11-24(27)26(22,3)15-13-23(21)25/h4-5,7-8,18-19,21-23H,6,9-16H2,1-3H3/t18-,19-,21-,22-,23-,25-,26-/m0/s1

InChIKey

InChIKey=HNTMKSKJRZRWKS-MWLOVLLCSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)C(=O)CC4)[H])(CC[C@]1(C[C@@H](OS(=O)(=O)C5=CC=C(C)C=C5)CC2)[H])[H])[H]

Canonical SMILES

O=C1CCC2C3CCC4CC(OS(=O)(=O)C5=CC=C(C=C5)C)CCC4(C)C3CCC12C

Other Names for this Substance

  • Androstan-17-one, 3-[[(4-methylphenyl)sulfonyl]oxy]-, (3β,5α)-
  • 5α-Androstan-17-one, 3β-hydroxy-, p-toluenesulfonate
  • (3β,5α)-3-[[(4-Methylphenyl)sulfonyl]oxy]androstan-17-one
  • 17-Oxoandrostan-3β-yl tosylate