(11β,16α)-16,17-[Butylidenebis(oxy)]-11-hydroxy-21-(sulfooxy)pregna-1,4-diene-3,20-dione
CAS Registry Number®
1436796-04-1
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CAS Name
(11β,16α)-16,17-[Butylidenebis(oxy)]-11-hydroxy-21-(sulfooxy)pregna-1,4-diene-3,20-dioneMolecular Formula
C25H34O9SMolecular Mass
510.60Cite this Page
(11β,16α)-16,17-[Butylidenebis(oxy)]-11-hydroxy-21-(sulfooxy)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=1436796-04-1 (retrieved ) (CAS RN: 1436796-04-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C25H34O9S/c1-4-5-21-33-20-11-17-16-7-6-14-10-15(26)8-9-23(14,2)22(16)18(27)12-24(17,3)25(20,34-21)19(28)13-32-35(29,30)31/h8-10,16-18,20-22,27H,4-7,11-13H2,1-3H3,(H,29,30,31)/t16-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1
InChIKey
InChIKey=MSISRBOPNUIOSN-KWVAZRHASA-N
SMILES
C(COS(=O)(=O)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)COS(=O)(=O)O)C4(C)CC(O)C32)CCC)C
Other Names for this Substance
- Pregna-1,4-diene-3,20-dione, 16,17-[butylidenebis(oxy)]-11-hydroxy-21-(sulfooxy)-, (11β,16α)-
- (11β,16α)-16,17-[Butylidenebis(oxy)]-11-hydroxy-21-(sulfooxy)pregna-1,4-diene-3,20-dione
- Budesonide 21-sulfate
