3α-Hydroxy-5α-pregnan-20-one

CAS Registry Number®

516-54-1

CAS Name

3α-Hydroxy-5α-pregnan-20-one

Molecular Formula

C21H34O2

Molecular Mass

318.49

Cite this Page

3α-Hydroxy-5α-pregnan-20-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=516-54-1 (retrieved 2024-11-24) (CAS RN: 516-54-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    177 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

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/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1

InChIKey

InChIKey=AURFZBICLPNKBZ-SYBPFIFISA-N

SMILES

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

Canonical SMILES

O=C(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C

Other Names for this Substance

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

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