(11β,16α)-9-Fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-21-(phosphonooxy)pregna-1,4-diene-3,20-dione

CAS Registry Number®

989-96-8

CAS Name

(11β,16α)-9-Fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-21-(phosphonooxy)pregna-1,4-diene-3,20-dione

Molecular Formula

C24H32FO9P

Molecular Mass

514.48

Cite this Page

(11β,16α)-9-Fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-21-(phosphonooxy)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=989-96-8 (retrieved 2024-11-25) (CAS RN: 989-96-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    220-222 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H32FO9P/c1-20(2)33-19-10-16-15-6-5-13-9-14(26)7-8-21(13,3)23(15,25)17(27)11-22(16,4)24(19,34-20)18(28)12-32-35(29,30)31/h7-9,15-17,19,27H,5-6,10-12H2,1-4H3,(H2,29,30,31)/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1

InChIKey

InChIKey=NXLTXRVPGUCAHF-JNQJZLCISA-N

SMILES

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

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CC5OC(OC5(C(=O)COP(=O)(O)O)C4(C)CC(O)C32F)(C)C)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-21-(phosphonooxy)-, (11β,16α)-
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,16α,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone, 21-(dihydrogen phosphate)
  • 2H-Naphth[2′,1′:4,5]indeno[1,2-d][1,3]dioxole, pregna-1,4-diene-3,20-dione deriv.
  • (11β,16α)-9-Fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-21-(phosphonooxy)pregna-1,4-diene-3,20-dione
  • Triamcinolone acetonide 21-phosphate

View All

Deleted or Replaced CAS Registry Numbers

889463-84-7, 889573-44-8, 1314036-54-8

CAS INSIGHTSTM
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