(6α,11β)-21-(Acetyloxy)-6,9-difluoro-11,17-dihydroxypregna-1,4-diene-3,20-dione

CAS Registry Number®

52-70-0

CAS Name

(6α,11β)-21-(Acetyloxy)-6,9-difluoro-11,17-dihydroxypregna-1,4-diene-3,20-dione

Molecular Formula

C23H28F2O6

Molecular Mass

438.46

Cite this Page

(6α,11β)-21-(Acetyloxy)-6,9-difluoro-11,17-dihydroxypregna-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=52-70-0 (retrieved 2024-11-27) (CAS RN: 52-70-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    239-242 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H28F2O6/c1-12(26)31-11-19(29)22(30)7-5-14-15-9-17(24)16-8-13(27)4-6-20(16,2)23(15,25)18(28)10-21(14,22)3/h4,6,8,14-15,17-18,28,30H,5,7,9-11H2,1-3H3/t14-,15-,17-,18-,20-,21-,22-,23-/m0/s1

InChIKey

InChIKey=LAAFISZDLHQNFS-WGFKBPOKSA-N

SMILES

F[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)[C@](C(COC(C)=O)=O)(O)CC3)[H])(C[C@H](F)C=4[C@]2(C)C=CC(=O)C4)[H]

Canonical SMILES

O=C1C=CC2(C(=C1)C(F)CC3C4CCC(O)(C(=O)COC(=O)C)C4(C)CC(O)C32F)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-6,9-difluoro-11,17-dihydroxy-, (6α,11β)-
  • Pregna-1,4-diene-3,20-dione, 6α,9-difluoro-11β,17,21-trihydroxy-, 21-acetate
  • (6α,11β)-21-(Acetyloxy)-6,9-difluoro-11,17-dihydroxypregna-1,4-diene-3,20-dione

CAS INSIGHTSTM
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