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Substance Name: Bufalin 3-sulfate
RN: 54603-10-0
UNII: 44Z7MIJ214
InChIKey: DSXQIXUWAMDIKX-BMPKRDENSA-N

Molecular Formula

  • C24-H34-O7-S

Molecular Weight

  • 466.5916
 
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Names and Synonyms

Results Name

  • Bufalin 3-sulfate

Name of Substance

  • Bufalin sulfate

Synonyms

  • Bufalin 3-sulfate
  • UNII-44Z7MIJ214

Systematic Name

  • Bufa-20,22-dienolide, 14-hydroxy-3-(sulfooxy)-, (3beta,5beta)-

Registry Numbers

CAS Registry Number

  • 54603-10-0

FDA UNII

  • 44Z7MIJ214

System Generated Number

  • 0054603100

Structure Descriptors

InChI

1S/C24H34O7S/c1-22-10-7-17(31-32(27,28)29)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)26)15-3-6-21(25)30-14-15/h3,6,14,16-20,26H,4-5,7-13H2,1-2H3,(H,27,28,29)/t16-,17+,18-,19+,20-,22+,23-,24+/m1/s1

InChIKey

DSXQIXUWAMDIKX-BMPKRDENSA-N

Smiles

C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H](CC[C@]34O)C5=COC(=O)C=C5)OS(=O)(=O)O