(11β)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione

CAS Registry Number®

3044-42-6
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CAS Name

(11β)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione

Molecular Formula

C23H28O5

Molecular Mass

384.47

Cite this Page

(11β)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3044-42-6 (retrieved 2024-07-05) (CAS RN: 3044-42-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    208-209 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H28O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h7-10,16-17,19,21,26H,4-6,11-12H2,1-3H3/t16-,17-,19-,21+,22-,23-/m0/s1

InChIKey

InChIKey=ABGUZAVIFZZDDZ-MHYQPVDNSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(C[C@@H]3O)C(C(COC(C)=O)=O)=CC4)[H])(CCC1=CC(=O)C=C2)[H])[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CC=C(C(=O)COC(=O)C)C4(C)CC(O)C32)C

Other Names for this Substance

  • Pregna-1,4,16-triene-3,20-dione, 21-(acetyloxy)-11-hydroxy-, (11β)-
  • Pregna-1,4,16-triene-3,20-dione, 11β,21-dihydroxy-, 21-acetate
  • (11β)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione
  • 21-Acetoxy-11β-hydroxypregna-1,4,16-triene-3,20-dione
  • 11β,21-Dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate