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Substance Name: Prednienic acid
RN: 37927-29-0
UNII: I3T12NR296
InChIKey: MCKJPJYRCPANCC-XLXYOEISSA-N

Molecular Formula

  • C20-H26-O5

Molecular Weight

  • 346.4204
 
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Names and Synonyms

Results Name

  • Prednienic acid

Name of Substance

  • Prednienic acid

Synonyms

  • EINECS 253-719-9
  • Pj 90
  • Prednienic acid
  • UNII-I3T12NR296

Systematic Name

  • (11beta,17alpha)-11,17-Dihydroxy-3-oxoandrosta-1,4-diene-17-carboxylic acid

Registry Numbers

CAS Registry Number

  • 37927-29-0

FDA UNII

  • I3T12NR296

System Generated Number

  • 0037927290

Structure Descriptors

InChI

1S/C20H26O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h5,7,9,13-16,22,25H,3-4,6,8,10H2,1-2H3,(H,23,24)/t13-,14-,15-,16+,18-,19-,20-/m0/s1

InChIKey

MCKJPJYRCPANCC-XLXYOEISSA-N

Smiles

C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)O