(11β,16α)-9-Fluoro-11,17-dihydroxy-16-methyl-21-[(1-oxopentyl)oxy]pregna-1,4-diene-3,20-dione

CAS Registry Number®

2600-31-9
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CAS Name

(11β,16α)-9-Fluoro-11,17-dihydroxy-16-methyl-21-[(1-oxopentyl)oxy]pregna-1,4-diene-3,20-dione

Molecular Formula

C27H37FO6

Molecular Mass

476.58

Cite this Page

(11β,16α)-9-Fluoro-11,17-dihydroxy-16-methyl-21-[(1-oxopentyl)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=2600-31-9 (retrieved 2024-05-17) (CAS RN: 2600-31-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H37FO6/c1-5-6-7-23(32)34-15-22(31)27(33)16(2)12-20-19-9-8-17-13-18(29)10-11-24(17,3)26(19,28)21(30)14-25(20,27)4/h10-11,13,16,19-21,30,33H,5-9,12,14-15H2,1-4H3/t16-,19+,20+,21+,24+,25+,26+,27+/m1/s1

InChIKey

InChIKey=FEROCCAEIIKMJT-OMPPIWKSSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](F)([C@]4(C)C(CC3)=CC(=O)C=C4)[C@@H](O)C1)[H])(C[C@@H](C)[C@@]2(C(COC(CCCC)=O)=O)O)[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CC(C)C(O)(C(=O)COC(=O)CCCC)C4(C)CC(O)C32F)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-[(1-oxopentyl)oxy]-, (11β,16α)-
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17,21-trihydroxy-16α-methyl-, 21-valerate
  • (11β,16α)-9-Fluoro-11,17-dihydroxy-16-methyl-21-[(1-oxopentyl)oxy]pregna-1,4-diene-3,20-dione
  • Dexamethasone 21-valerate
  • Voalla

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