Pregn-4-ene-3,11,20-trione, 21-(2,2-dimethyl-1-oxopropoxy)-17-hydroxy-

CAS Registry Number®

85135-80-4

CAS Name

Pregn-4-ene-3,11,20-trione, 21-(2,2-dimethyl-1-oxopropoxy)-17-hydroxy-

Molecular Formula

C26H36O6

Molecular Mass

444.56

Cite this Page

Pregn-4-ene-3,11,20-trione, 21-(2,2-dimethyl-1-oxopropoxy)-17-hydroxy-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=85135-80-4 (retrieved 2025-05-22) (CAS RN: 85135-80-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    260-262 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C26H36O6/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h12,17-18,21,31H,6-11,13-14H2,1-5H3/t17-,18-,21+,24-,25-,26-/m0/s1

InChIKey

InChIKey=VHNVULANWDGFPT-MOAAPXTLSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3=O)[C@](C(COC(C(C)(C)C)=O)=O)(O)CC4)[H])(CCC1=CC(=O)CC2)[H])[H]

Canonical SMILES

O=C1C=C2CCC3C(C(=O)CC4(C)C3CCC4(O)C(=O)COC(=O)C(C)(C)C)C2(C)CC1

Other Names for this Substance

  • Pregn-4-ene-3,11,20-trione, 21-(2,2-dimethyl-1-oxopropoxy)-17-hydroxy-
  • Cortisone, pivalate
  • Cortisone, 21-pivalate
  • Pivalic acid, 21-ester with cortisone

CAS INSIGHTSTM
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