(11β,16α)-9-Fluoro-11,17-dihydroxy-16-methyl-21-(1-oxo-3-phenylpropoxy)pregna-1,4-diene-3,20-dione

CAS Registry Number®

1879-72-7

CAS Name

(11β,16α)-9-Fluoro-11,17-dihydroxy-16-methyl-21-(1-oxo-3-phenylpropoxy)pregna-1,4-diene-3,20-dione

Molecular Formula

C31H37FO6

Molecular Mass

524.62

Cite this Page

(11β,16α)-9-Fluoro-11,17-dihydroxy-16-methyl-21-(1-oxo-3-phenylpropoxy)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=1879-72-7 (retrieved 2024-11-21) (CAS RN: 1879-72-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    211-213 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C31H37FO6/c1-19-15-24-23-11-10-21-16-22(33)13-14-28(21,2)30(23,32)25(34)17-29(24,3)31(19,37)26(35)18-38-27(36)12-9-20-7-5-4-6-8-20/h4-8,13-14,16,19,23-25,34,37H,9-12,15,17-18H2,1-3H3/t19-,23+,24+,25+,28+,29+,30+,31+/m1/s1

InChIKey

InChIKey=CTKMBLPPDDQOSU-JPYVRCQISA-N

SMILES

F[C@@]12[C@]([C@]3([C@@](C)([C@](C(COC(CCC4=CC=CC=C4)=O)=O)(O)[C@H](C)C3)C[C@@H]1O)[H])(CCC=5[C@]2(C)C=CC(=O)C5)[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CC(C)C(O)(C(=O)COC(=O)CCC=5C=CC=CC5)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-oxo-3-phenylpropoxy)-, (11β,16α)-
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17,21-trihydroxy-16α-methyl-, 21-hydrocinnamate
  • (11β,16α)-9-Fluoro-11,17-dihydroxy-16-methyl-21-(1-oxo-3-phenylpropoxy)pregna-1,4-diene-3,20-dione
  • Dexamethasone 21-(3-phenylpropionate)
  • Dexamethasone 21-hydrocinnamate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration