5α-Pregnan-20α-ol-3-one

CAS Registry Number®

516-59-6
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CAS Name

5α-Pregnan-20α-ol-3-one

Molecular Formula

C21H34O2

Molecular Mass

318.49

Cite this Page

5α-Pregnan-20α-ol-3-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=516-59-6 (retrieved 2024-09-05) (CAS RN: 516-59-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    178.5-181 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H34O2/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/h13-14,16-19,22H,4-12H2,1-3H3/t13-,14-,16-,17+,18-,19-,20-,21+/m0/s1

InChIKey

InChIKey=DYVGYXXLXQESJE-SKLBOBKVSA-N

SMILES

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

Canonical SMILES

O=C1CCC2(C)C(C1)CCC3C4CCC(C(O)C)C4(C)CCC32

Other Names for this Substance

  • Pregnan-3-one, 20-hydroxy-, (5α,20S)-
  • 5α-Pregnan-3-one, 20α-hydroxy-
  • (5α,20S)-20-Hydroxypregnan-3-one
  • Allopregnan-20α-ol-3-one
  • 20α-Hydroxy-5α-pregnan-3-one

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