Pregnane-3,11,20-trione, 21-(acetyloxy)-17-hydroxy-, (5β)-

CAS Registry Number®

1499-59-8
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CAS Name

Pregnane-3,11,20-trione, 21-(acetyloxy)-17-hydroxy-, (5β)-

Molecular Formula

C23H32O6

Molecular Mass

404.50

Cite this Page

Pregnane-3,11,20-trione, 21-(acetyloxy)-17-hydroxy-, (5β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1499-59-8 (retrieved 2024-04-29) (CAS RN: 1499-59-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    228-230 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h14,16-17,20,28H,4-12H2,1-3H3/t14-,16+,17+,20-,21+,22+,23+/m1/s1

InChIKey

InChIKey=AZCNJEFLSOQGST-LPEMZKRWSA-N

SMILES

C[C@@]12[C@]([C@]3([C@](C(=O)C1)([C@]4(C)[C@](CC3)(CC(=O)CC4)[H])[H])[H])(CC[C@@]2(C(COC(C)=O)=O)O)[H]

Canonical SMILES

O=C(OCC(=O)C1(O)CCC2C3CCC4CC(=O)CCC4(C)C3C(=O)CC21C)C

Other Names for this Substance

  • Pregnane-3,11,20-trione, 21-(acetyloxy)-17-hydroxy-, (5β)-
  • 5β-Pregnane-3,11,20-trione, 17,21-dihydroxy-, 21-acetate
  • L 491297-0
  • 17,21-Dihydroxy-5β-pregnane-3,11,20-trione 21-acetate
  • Dihydrocortisone acetate

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