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Substance Name: 3-Methyldigitoxigenin
RN: 55547-62-1
InChIKey: GWHJWJZEZYIWNA-GJZHUCONSA-N

Molecular Formula

  • C24-H36-O4

Molecular Weight

  • 388.5444
 
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Names and Synonyms

Name of Substance

  • 3-Methyldigitoxigenin

Systematic Name

  • Card-20(22)-enolide, 3,14-dihydroxy-3-methyl-, (3beta,5beta)-

Registry Numbers

CAS Registry Number

  • 55547-62-1

System Generated Number

  • 0055547621

Structure Descriptors

InChI

1S/C24H36O4/c1-21(26)10-11-22(2)16(13-21)4-5-19-18(22)6-8-23(3)17(7-9-24(19,23)27)15-12-20(25)28-14-15/h12,16-19,26-27H,4-11,13-14H2,1-3H3/t16-,17-,18+,19-,21+,22+,23-,24+/m1/s1

InChIKey

GWHJWJZEZYIWNA-GJZHUCONSA-N

Smiles

C[C@@]1(CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)C)O