(3β)-3-(Acetyloxy)-17-hydroxypregn-5-en-20-one

CAS Registry Number®

1863-39-4
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CAS Name

(3β)-3-(Acetyloxy)-17-hydroxypregn-5-en-20-one

Molecular Formula

C23H34O4

Molecular Mass

374.51

Cite this Page

(3β)-3-(Acetyloxy)-17-hydroxypregn-5-en-20-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1863-39-4 (retrieved 2024-09-07) (CAS RN: 1863-39-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    230-231 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H34O4/c1-14(24)23(26)12-9-20-18-6-5-16-13-17(27-15(2)25)7-10-21(16,3)19(18)8-11-22(20,23)4/h5,17-20,26H,6-13H2,1-4H3/t17-,18+,19-,20-,21-,22-,23-/m0/s1

InChIKey

InChIKey=IQCNQJXIOWBNAT-KIYFCUGLSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(=CC3)C[C@@H](OC(C)=O)CC4)(CC1)[H])[H])(CC[C@@]2(C(C)=O)O)[H]

Canonical SMILES

O=C(OC1CC2=CCC3C(CCC4(C)C3CCC4(O)C(=O)C)C2(C)CC1)C

Other Names for this Substance

  • Pregn-5-en-20-one, 3-(acetyloxy)-17-hydroxy-, (3β)-
  • Pregn-5-en-20-one, 3β,17-dihydroxy-, 3-acetate
  • (3β)-3-(Acetyloxy)-17-hydroxypregn-5-en-20-one
  • SKF 2814
  • 3β-Acetoxy-17-hydroxypregn-5-en-20-one

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Deleted or Replaced CAS Registry Numbers

114512-81-1