(11β,16α)-11,21-Dihydroxy-16,17-[(2-hydroxybutylidene)bis(oxy)]pregna-1,4-diene-3,20-dione

CAS Registry Number®

109423-03-2

CAS Name

(11β,16α)-11,21-Dihydroxy-16,17-[(2-hydroxybutylidene)bis(oxy)]pregna-1,4-diene-3,20-dione

Molecular Formula

C25H34O7

Molecular Mass

446.53

Cite this Page

(11β,16α)-11,21-Dihydroxy-16,17-[(2-hydroxybutylidene)bis(oxy)]pregna-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=109423-03-2 (retrieved 2024-11-23) (CAS RN: 109423-03-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H34O7/c1-4-17(28)22-31-20-10-16-15-6-5-13-9-14(27)7-8-23(13,2)21(15)18(29)11-24(16,3)25(20,32-22)19(30)12-26/h7-9,15-18,20-22,26,28-29H,4-6,10-12H2,1-3H3/t15-,16-,17?,18-,20+,21+,22?,23-,24-,25+/m0/s1

InChIKey

InChIKey=OBFKEHNWUXWRPI-BZGQYQIDSA-N

SMILES

C(CO)(=O)[C@]12[C@]3(C)[C@@](C[C@]1(OC(C(CC)O)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)CO)C4(C)CC(O)C32)C(O)CC)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 11,21-dihydroxy-16,17-[(2-hydroxybutylidene)bis(oxy)]-, (11β,16α)-
  • (11β,16α)-11,21-Dihydroxy-16,17-[(2-hydroxybutylidene)bis(oxy)]pregna-1,4-diene-3,20-dione
  • 23-Hydroxybudesonide

CAS INSIGHTSTM
Hourglass and a clock