Pregn-16-ene-11,20-dione, 3-(acetyloxy)-, (3α,5β)-

CAS Registry Number®

4970-39-2
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CAS Name

Pregn-16-ene-11,20-dione, 3-(acetyloxy)-, (3α,5β)-

Molecular Formula

C23H32O4

Molecular Mass

372.50

Cite this Page

Pregn-16-ene-11,20-dione, 3-(acetyloxy)-, (3α,5β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4970-39-2 (retrieved 2024-05-15) (CAS RN: 4970-39-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    197-198 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H32O4/c1-13(24)18-7-8-19-17-6-5-15-11-16(27-14(2)25)9-10-22(15,3)21(17)20(26)12-23(18,19)4/h7,15-17,19,21H,5-6,8-12H2,1-4H3/t15-,16-,17+,19+,21-,22+,23-/m1/s1

InChIKey

InChIKey=JAZBMNIJZWDVQJ-VEWLMHDZSA-N

SMILES

C[C@@]12[C@]([C@]3([C@](C(=O)C1)([C@]4(C)[C@](CC3)(C[C@H](OC(C)=O)CC4)[H])[H])[H])(CC=C2C(C)=O)[H]

Canonical SMILES

O=C(OC1CCC2(C)C3C(=O)CC4(C(=CCC4C3CCC2C1)C(=O)C)C)C

Other Names for this Substance

  • Pregn-16-ene-11,20-dione, 3-(acetyloxy)-, (3α,5β)-
  • 5β-Pregn-16-ene-11,20-dione, 3α-hydroxy-, acetate
  • NSC 60797

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