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Substance Name: 6alpha,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-(dihydrogen phosphate)
RN: 57331-14-3
InChIKey: PTFJOVUOXOHPIW-RBKZJGKHSA-N

Molecular Formula

  • C21-H27-F2-O8-P

Molecular Weight

  • 476.406
 
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Names and Synonyms

Synonym

  • EINECS 260-683-8

Systematic Names

  • 6alpha,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-(dihydrogen phosphate)
  • Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11,17-dihydroxy-21-(phosphonooxy)-, (6alpha,11beta)-

Registry Numbers

CAS Registry Number

  • 57331-14-3

System Generated Number

  • 0057331143

Structure Descriptors

InChI

1S/C21H27F2O8P/c1-18-5-3-11(24)7-14(18)15(22)8-13-12-4-6-20(27,17(26)10-31-32(28,29)30)19(12,2)9-16(25)21(13,18)23/h3,5,7,12-13,15-16,25,27H,4,6,8-10H2,1-2H3,(H2,28,29,30)/t12-,13-,15-,16-,18-,19-,20-,21-/m0/s1

InChIKey

PTFJOVUOXOHPIW-RBKZJGKHSA-N

Smiles

O(CC([C@@]1(CC[C@@H]2[C@]1(C)C[C@@H]([C@@]1([C@@]3(C([C@H](C[C@@H]21)F)=CC(C=C3)=O)C)F)O)O)=O)P(O)(O)=O