Pregnenolone acetate

CAS Registry Number®

1778-02-5

CAS Name

Pregnenolone acetate

Molecular Formula

C23H34O3

Molecular Mass

358.51

Cite this Page

Pregnenolone acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1778-02-5 (retrieved 2024-11-21) (CAS RN: 1778-02-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    148.5-149.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,17-21H,6-13H2,1-4H3/t17-,18-,19+,20-,21-,22-,23+/m0/s1

InChIKey

InChIKey=CRRKVZVYZQXICQ-RJJCNJEVSA-N

SMILES

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

Canonical SMILES

O=C(OC1CC2=CCC3C(CCC4(C)C(C(=O)C)CCC34)C2(C)CC1)C

Other Names for this Substance

  • Pregn-5-en-20-one, 3-(acetyloxy)-, (3β)-
  • Pregn-5-en-20-one, 3β-hydroxy-, acetate
  • (3β)-3-(Acetyloxy)pregn-5-en-20-one
  • 3β-Acetoxy-Δ5-pregnen-20-one
  • 3β-Acetoxy-5-pregnen-20-one

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Deleted or Replaced CAS Registry Numbers

2414115-00-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration