(6β,11β,16α)-16,17-[Butylidenebis(oxy)]-6,11,21-trihydroxypregna-1,4-diene-3,20-dione

CAS Registry Number®

88411-77-2
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CAS Name

(6β,11β,16α)-16,17-[Butylidenebis(oxy)]-6,11,21-trihydroxypregna-1,4-diene-3,20-dione

Molecular Formula

C25H34O7

Molecular Mass

446.53

Cite this Page

(6β,11β,16α)-16,17-[Butylidenebis(oxy)]-6,11,21-trihydroxypregna-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=88411-77-2 (retrieved 2024-05-29) (CAS RN: 88411-77-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H34O7/c1-4-5-21-31-20-10-15-14-9-17(28)16-8-13(27)6-7-23(16,2)22(14)18(29)11-24(15,3)25(20,32-21)19(30)12-26/h6-8,14-15,17-18,20-22,26,28-29H,4-5,9-12H2,1-3H3/t14-,15-,17+,18-,20+,21?,22+,23-,24-,25+/m0/s1

InChIKey

InChIKey=JBVVDXJXIDYDMF-GVTADUIWSA-N

SMILES

C(CO)(=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([C@H](O)C4)=CC(=O)C=C5)[H])[H])[H]

Canonical SMILES

O=C1C=CC2(C(=C1)C(O)CC3C4CC5OC(OC5(C(=O)CO)C4(C)CC(O)C32)CCC)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 16,17-[butylidenebis(oxy)]-6,11,21-trihydroxy-, (6β,11β,16α)-
  • (6β,11β,16α)-16,17-[Butylidenebis(oxy)]-6,11,21-trihydroxypregna-1,4-diene-3,20-dione
  • 6β-Hydroxybudesonide

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