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Substance Name: 9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-(3,3-dimethylbutyrate)
RN: 52668-06-1
InChIKey: PQVDYPCHUGFHAR-XYWKZLDCSA-N

Molecular Formula

  • C28-H39-F-O6

Molecular Weight

  • 490.608
 
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Names and Synonyms

Synonym

  • EINECS 258-086-2

Systematic Names

  • 9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-(3,3-dimethylbutyrate)
  • Pregna-1,4-diene-3,20-dione, 21-(3,3-dimethyl-1-oxobutoxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11beta,16beta)-

Registry Numbers

CAS Registry Number

  • 52668-06-1

System Generated Number

  • 0052668061

Structure Descriptors

InChI

1S/C28H39FO6/c1-16-11-20-19-8-7-17-12-18(30)9-10-25(17,5)27(19,29)21(31)13-26(20,6)28(16,34)22(32)15-35-23(33)14-24(2,3)4/h9-10,12,16,19-21,31,34H,7-8,11,13-15H2,1-6H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1

InChIKey

PQVDYPCHUGFHAR-XYWKZLDCSA-N

Smiles

C=12[C@@]([C@]3(F)[C@H]([C@H]4[C@@]([C@@]([C@H](C)C4)(C(COC(=O)CC(C)(C)C)=O)O)(C[C@@H]3O)C)CC2)(C=CC(=O)C1)C