(2β,3α,5α,16β)-3-Hydroxy-2,16-di-1-piperidinylandrostan-17-one

CAS Registry Number®

13522-14-0

CAS Name

(2β,3α,5α,16β)-3-Hydroxy-2,16-di-1-piperidinylandrostan-17-one

Molecular Formula

C29H48N2O2

Molecular Mass

456.70

Cite this Page

(2β,3α,5α,16β)-3-Hydroxy-2,16-di-1-piperidinylandrostan-17-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13522-14-0 (retrieved 2024-11-21) (CAS RN: 13522-14-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    179-185 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H48N2O2/c1-28-12-11-22-21(23(28)18-24(27(28)33)30-13-5-3-6-14-30)10-9-20-17-26(32)25(19-29(20,22)2)31-15-7-4-8-16-31/h20-26,32H,3-19H2,1-2H3/t20-,21+,22-,23-,24-,25-,26-,28-,29-/m0/s1

InChIKey

InChIKey=KUCISTFXMDQUHG-XMTFRXHISA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@H](O)[C@H](C4)N5CCCCC5)[H])(CC1)[H])[H])(C[C@@H](C2=O)N6CCCCC6)[H]

Canonical SMILES

O=C1C(N2CCCCC2)CC3C4CCC5CC(O)C(N6CCCCC6)CC5(C)C4CCC13C

Other Names for this Substance

  • Androstan-17-one, 3-hydroxy-2,16-di-1-piperidinyl-, (2β,3α,5α,16β)-
  • 5α-Androstan-17-one, 3β-hydroxy-2β,16β-dipiperidino-
  • (2β,3α,5α,16β)-3-Hydroxy-2,16-di-1-piperidinylandrostan-17-one
  • 2β,16β-Dipiperidino-5α-androstan-3α-ol-17-one

CAS INSIGHTSTM
Targeted protein degrader structure, illustration