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Substance Name: Pregna-1,4-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-, monosodium salt, (11beta,16beta)-
RN: 94135-28-1
InChIKey: LWYFTFVPWMNUJF-GNDBERJGSA-M

Molecular Formula

  • C28-H36-O9.Na

Molecular Weight

  • 538.5655
 
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Names and Synonyms

Synonym

  • EINECS 302-897-7

Systematic Name

  • Pregna-1,4-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-, monosodium salt, (11beta,16beta)-

Registry Numbers

CAS Registry Number

  • 94135-28-1

System Generated Number

  • 0094135281

Molecular Formulas

Molecular Formula

  • C28-H36-O9.Na

Molecular Formula Fragments

  • C28-H36-O9
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C28H36O9.Na/c1-25(2)36-21-12-18-17-6-5-15-11-16(29)9-10-26(15,3)24(17)19(30)13-27(18,4)28(21,37-25)20(31)14-35-23(34)8-7-22(32)33;/h9-11,17-19,21,24,30H,5-8,12-14H2,1-4H3,(H,32,33);/q;+1/p-1/t17-,18-,19-,21+,24+,26-,27-,28+;/m0./s1

InChIKey

LWYFTFVPWMNUJF-GNDBERJGSA-M

Smiles

C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)COC(=O)CCC(=O)[O-])CCC5=CC(=O)C=C[C@]35C)O.[Na+]