(20R)-3-Oxopregn-4-ene-20-carboxaldehyde

CAS Registry Number®

66289-21-2

CAS Name

(20R)-3-Oxopregn-4-ene-20-carboxaldehyde

Molecular Formula

C22H32O2

Molecular Mass

328.49

Cite this Page

(20R)-3-Oxopregn-4-ene-20-carboxaldehyde.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=66289-21-2 (retrieved 2024-11-08) (CAS RN: 66289-21-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    133-136 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H32O2/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h12-14,17-20H,4-11H2,1-3H3/t14-,17-,18+,19-,20-,21-,22+/m0/s1

InChIKey

InChIKey=XVPJEGGIGJLDQK-IJDPAOOOSA-N

SMILES

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

Canonical SMILES

O=CC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C

Other Names for this Substance

  • Pregn-4-ene-20-carboxaldehyde, 3-oxo-, (20R)-
  • (20R)-3-Oxopregn-4-ene-20-carboxaldehyde
  • Bisnorcholenaldehyde
  • Dinorcholenaldehyde
  • 20β-Formylpregn-4-en-3-one

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