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Substance Name: 3alpha-Methyldigitoxigenin glucoside
RN: 62190-59-4
InChIKey: YDBFAIQQBCTMDK-IDJHTCDZSA-N

Note

  • Binds to ouabain receptors.

Molecular Weight

  • 550.684
 
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Names and Synonyms

Name of Substance

  • 3alpha-Methyldigitoxigenin glucoside

Synonyms

  • 3-Mdtg
  • 3alpha-Methyl-digitoxigenin glucoside

Systematic Name

  • Card-20(22)-enolide, 3-(beta-D-glucopyranosyloxy)-14-hydroxy-3-methyl-, (3beta,5beta)-

Registry Numbers

CAS Registry Number

  • 62190-59-4

System Generated Number

  • 0062190594

Structure Descriptors

InChI

1S/C30H46O9/c1-27(39-26-25(35)24(34)23(33)21(14-31)38-26)10-11-28(2)17(13-27)4-5-20-19(28)6-8-29(3)18(7-9-30(20,29)36)16-12-22(32)37-15-16/h12,17-21,23-26,31,33-36H,4-11,13-15H2,1-3H3/t17-,18-,19+,20-,21-,23-,24+,25-,26+,27-,28+,29-,30?/m1/s1

InChIKey

YDBFAIQQBCTMDK-IDJHTCDZSA-N

Smiles

C1[C@@](C[C@H]2CC[C@H]3[C@@]4(CC[C@@H](C=5COC(=O)C5)[C@@]4(C)CC[C@H]3[C@@]2(C1)C)O)(C)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO