5α-Pregnane-3β,20β-diol

CAS Registry Number®

516-53-0

CAS Name

5α-Pregnane-3β,20β-diol

Molecular Formula

C21H36O2

Molecular Mass

320.51

Cite this Page

5α-Pregnane-3β,20β-diol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=516-53-0 (retrieved 2024-11-22) (CAS RN: 516-53-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    196 °C

  • Density (2)

    1.061 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-/m1/s1

InChIKey

InChIKey=YWYQTGBBEZQBGO-XFHAOOBSSA-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, (3β,5α,20R)-
  • 5α-Pregnane-3β,20β-diol
  • (3β,5α,20R)-Pregnane-3,20-diol
  • Allopregnane-3β,20β-diol
  • 3β,20β-Dihydroxy-5α-pregnane

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