21-Acetoxypregnenolone

CAS Registry Number®

566-78-9

CAS Name

21-Acetoxypregnenolone

Molecular Formula

C23H34O4

Molecular Mass

374.51

Cite this Page

21-Acetoxypregnenolone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=566-78-9 (retrieved 2024-11-21) (CAS RN: 566-78-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    184.5 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C23H34O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h4,16-20,25H,5-13H2,1-3H3/t16-,17-,18-,19-,20+,22-,23-/m0/s1

InChIKey

InChIKey=MDJRZSNPHZEMJH-MTMZYOSNSA-N

SMILES

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

Canonical SMILES

O=C(OCC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C

Other Names for this Substance

  • Pregn-5-en-20-one, 21-(acetyloxy)-3-hydroxy-, (3β)-
  • Pregn-5-en-20-one, 3β,21-dihydroxy-, 21-acetate
  • (3β)-21-(Acetyloxy)-3-hydroxypregn-5-en-20-one
  • Acetoxanon
  • 21-Acetoxy-5-pregnen-3-ol-20-one

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration