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Substance Name: Pregna-1,4-diene-3,20-dione, 11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-21-(phosphonooxy)-, disodium salt, (11beta,16beta)-
RN: 94135-29-2
InChIKey: IHTZFPUWMRSEMG-VNIODBELSA-L

Molecular Formula

  • C24-H33-O9-P.2Na

Molecular Weight

  • 540.4539
 
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Names and Synonyms

Synonym

  • EINECS 302-898-2

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 94135-29-2

System Generated Number

  • 0094135292

Molecular Formulas

Molecular Formula

  • C24-H33-O9-P.2Na

Molecular Formula Fragments

  • C24-H33-O9-P
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C24H33O9P.2Na/c1-21(2)32-19-10-16-15-6-5-13-9-14(25)7-8-22(13,3)20(15)17(26)11-23(16,4)24(19,33-21)18(27)12-31-34(28,29)30;;/h7-9,15-17,19-20,26H,5-6,10-12H2,1-4H3,(H2,28,29,30);;/q;2*+1/p-2/t15?,16?,17-,19+,20?,22-,23-,24+;;/m0../s1

InChIKey

IHTZFPUWMRSEMG-VNIODBELSA-L

Smiles

[C@@]12([C@@]3(C(C4C([C@@]5(C(=CC(=O)C=C5)CC4)C)[C@H](C3)O)C[C@H]1OC(O2)(C)C)C)C(=O)COP(=O)([O-])[O-].[Na+].[Na+]