(3α,5β)-3-Hydroxypregnane-11,20-dione

CAS Registry Number®

565-99-1
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CAS Name

(3α,5β)-3-Hydroxypregnane-11,20-dione

Molecular Formula

C21H32O3

Molecular Mass

332.48

Cite this Page

(3α,5β)-3-Hydroxypregnane-11,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=565-99-1 (retrieved 2024-04-25) (CAS RN: 565-99-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    172-174 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14-,15+,16-,17+,19-,20+,21-/m1/s1

InChIKey

InChIKey=DUHUCHOQIDJXAT-CSXWOMMHSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3=O)[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)C3C(=O)CC12C

Other Names for this Substance

  • Pregnane-11,20-dione, 3-hydroxy-, (3α,5β)-
  • 5β-Pregnane-11,20-dione, 3α-hydroxy-
  • (3α,5β)-3-Hydroxypregnane-11,20-dione
  • 3α-Hydroxy-5β-pregnane-11,20-dione
  • 11-Ketopregnanolone

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