Doxibetasol

CAS Registry Number®

1879-77-2
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CAS Name

Doxibetasol

Molecular Formula

C22H29FO4

Molecular Mass

376.46

Cite this Page

Doxibetasol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1879-77-2 (retrieved 2024-04-18) (CAS RN: 1879-77-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    232-234 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H29FO4/c1-12-9-17-16-6-5-14-10-15(25)7-8-19(14,3)21(16,23)18(26)11-20(17,4)22(12,27)13(2)24/h7-8,10,12,16-18,26-27H,5-6,9,11H2,1-4H3/t12-,16-,17-,18-,19-,20-,21-,22-/m0/s1

InChIKey

InChIKey=IKGBPSZWCRRUQS-DTAAKRQUSA-N

SMILES

F[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)[C@](C(C)=O)(O)[C@@H](C)C3)[H])(CCC=4[C@]2(C)C=CC(=O)C4)[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CC(C)C(O)(C(=O)C)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-, (11β,16β)-
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17-dihydroxy-16β-methyl-
  • (11β,16β)-9-Fluoro-11,17-dihydroxy-16-methylpregna-1,4-diene-3,20-dione
  • 9-Fluoro-11β,17-dihydroxy-16β-methylpregna-1,4-diene-3,20-dione
  • Doxibetasol

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