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Substance Name: EINECS 219-879-9
RN: 2561-01-5
InChIKey: LANLTRZXAVUOPI-OKKOOQLDSA-N

Molecular Formula

  • C25-H31-F-O9

Molecular Weight

  • 494.5089
 
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Names and Synonyms

Results Name

  • EINECS 219-879-9

Synonym

  • EINECS 219-879-9

Systematic Names

  • 9-Fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione 21-(hydrogen succinate)
  • Pregna-1,4-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-9-fluoro-11,16,17-trihydroxy-, (11beta,16alpha)-

Registry Numbers

CAS Registry Number

  • 2561-01-5

System Generated Number

  • 0002561015

Structure Descriptors

InChI

1S/C25H31FO9/c1-22-8-7-14(27)9-13(22)3-4-15-16-10-17(28)25(34,23(16,2)11-18(29)24(15,22)26)19(30)12-35-21(33)6-5-20(31)32/h7-9,15-18,28-29,34H,3-6,10-12H2,1-2H3,(H,31,32)/t15-,16-,17+,18-,22-,23-,24-,25-/m0/s1

InChIKey

LANLTRZXAVUOPI-OKKOOQLDSA-N

Smiles

C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@H]([C@@]2(C(=O)COC(=O)CCC(=O)O)O)O)CCC4=CC(=O)C=C[C@@]43C)F)O