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Substance Name: Pregn-4-ene-3,20-dione, 21-(acetyloxy)-9-fluoro-11-hydroxy-16,17-((1-phenylethylidene)bis(oxy))-, (11beta,16alpha)-
RN: 31790-64-4
InChIKey: QCYWBAOQPAOALZ-ZPHQKVKWSA-N

Molecular Formula

  • C31-H37-F-O7

Molecular Weight

  • 498.587
 
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Names and Synonyms

Name of Substance

  • Pregn-4-ene-3,20-dione, 21-(acetyloxy)-9-fluoro-11-hydroxy-16,17-((1-phenylethylidene)bis(oxy))-, (11beta,16alpha)-

Synonym

  • 9alpha-Fluoro-11beta,16alpha,17,21-tetrahydroxypregn-4-ene-3,20-dione, cyclic 16,17-acetal with acetophenone, 21-acetate

Systematic Names

  • Pregn-4-ene-3,20-dione, 21-(acetyloxy)-9-fluoro-11-hydroxy-16,17-((1-phenylethylidene)bis(oxy))-, (11beta,16alpha)-
  • Pregn-4-ene-3,20-dione, 9-fluoro-11beta,16alpha,17,21-tetrahydroxy-, 21-acetate, 16,17-acetal with acetophenone

Registry Numbers

CAS Registry Number

  • 31790-64-4

System Generated Number

  • 0031790644

Structure Descriptors

InChI

1S/C29H35FO6/c1-25-12-11-19(32)13-18(25)9-10-20-21-14-24-29(23(34)16-31,26(21,2)15-22(33)28(20,25)30)36-27(3,35-24)17-7-5-4-6-8-17/h4-8,13,20-22,24,31,33H,9-12,14-16H2,1-3H3/t20-,21-,22-,24+,25-,26-,27?,28-,29+/m0/s1

InChIKey

QCYWBAOQPAOALZ-ZPHQKVKWSA-N

Smiles

c1([C@@]2(O[C@H]3[C@](C(=O)CO)(O2)[C@@]2(C)C[C@@H]([C@@]4(F)[C@H](CCC5=CC(CC[C@@]45C)=O)[C@H]2C3)O)C)ccccc1