Pregnanediol

CAS Registry Number®

80-92-2

CAS Name

Pregnanediol

Molecular Formula

C21H36O2

Molecular Mass

320.51

Cite this Page

Pregnanediol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=80-92-2 (retrieved 2024-11-22) (CAS RN: 80-92-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    243.5 °C

  • Density (2)

    1.067 g/cm³

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14+,15+,16-,17+,18-,19-,20-,21+/m0/s1

InChIKey

InChIKey=YWYQTGBBEZQBGO-BERLURQNSA-N

SMILES

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

Canonical SMILES

OC1CCC2(C)C(CCC3C4CCC(C(O)C)C4(C)CCC32)C1

Other Names for this Substance

  • Pregnane-3,20-diol, (3α,5β,20S)-
  • 5β-Pregnane-3α,20α-diol
  • Diol
  • (3α,5β,20S)-Pregnane-3,20-diol
  • 3α,20α-Dihydroxy-5β-pregnane

View All

CAS INSIGHTSTM
Targeted protein degrader structure, illustration