(11β,16α)-21-(Acetyloxy)-16,17-[butylidenebis(oxy)]-11-hydroxypregna-1,4-diene-3,20-dione

CAS Registry Number®

51333-05-2

CAS Name

(11β,16α)-21-(Acetyloxy)-16,17-[butylidenebis(oxy)]-11-hydroxypregna-1,4-diene-3,20-dione

Molecular Formula

C27H36O7

Molecular Mass

472.57

Cite this Page

(11β,16α)-21-(Acetyloxy)-16,17-[butylidenebis(oxy)]-11-hydroxypregna-1,4-diene-3,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=51333-05-2 (retrieved 2024-11-21) (CAS RN: 51333-05-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H36O7/c1-5-6-23-33-22-12-19-18-8-7-16-11-17(29)9-10-25(16,3)24(18)20(30)13-26(19,4)27(22,34-23)21(31)14-32-15(2)28/h9-11,18-20,22-24,30H,5-8,12-14H2,1-4H3/t18-,19-,20-,22+,23?,24+,25-,26-,27+/m0/s1

InChIKey

InChIKey=QZIYSFVNRMBENV-PONRWWDOSA-N

SMILES

C(COC(C)=O)(=O)[C@]12[C@]3(C)[C@@](C[C@]1(OC(CCC)O2)[H])([C@]4([C@]([C@@H](O)C3)([C@]5(C)C(CC4)=CC(=O)C=C5)[H])[H])[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CC5OC(OC5(C(=O)COC(=O)C)C4(C)CC(O)C32)CCC)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-16,17-[butylidenebis(oxy)]-11-hydroxy-, (11β,16α)-
  • (11β,16α)-21-(Acetyloxy)-16,17-[butylidenebis(oxy)]-11-hydroxypregna-1,4-diene-3,20-dione
  • 21-(Acetoxy)-16α,17α-(butylidenedioxy)-11β-hydroxypregna-1,4-diene-3,20-dione
  • Budesonide 21-acetate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration