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Substance Name: 2-Bromo-6beta,9-difluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione 21-acetate
RN: 57781-19-8
InChIKey: JAWWELAUBJOEOF-CBDANFDESA-N

Molecular Formula

  • C23-H27-Br-F2-O7

Molecular Weight

  • 533.3593
 
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Names and Synonyms

Synonym

  • EINECS 260-955-6

Systematic Name

  • 2-Bromo-6beta,9-difluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione 21-acetate

Registry Numbers

CAS Registry Number

  • 57781-19-8

System Generated Number

  • 0057781198

Structure Descriptors

InChI

1S/C23H27BrF2O7/c1-10(27)33-9-19(31)23(32)17(29)6-11-12-4-15(25)13-5-16(28)14(24)7-20(13,2)22(12,26)18(30)8-21(11,23)3/h5,7,11-12,15,17-18,29-30,32H,4,6,8-9H2,1-3H3/t11-,12-,15+,17+,18-,20-,21-,22-,23-/m0/s1

InChIKey

JAWWELAUBJOEOF-CBDANFDESA-N

Smiles

CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)Br