Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3beta-Thioacetyl-14beta-hydroxy-5beta-card-20(22)-enolide
RN: 61971-99-1
InChIKey: XJCCESAEINXXLY-LJTBVTBPSA-N

Note

  • Thioacetyl analog of digitoxigenin.

Molecular Formula

  • C25-H36-O4-S

Molecular Weight

  • 432.6214
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 3beta-Thioacetyl-14beta-hydroxy-5beta-card-20(22)-enolide

Systematic Name

  • Card-20(22)-enolide, 3-(acetylthio)-14-hydroxy-, (3beta,5beta)-

Registry Numbers

CAS Registry Number

  • 61971-99-1

System Generated Number

  • 0061971991

Structure Descriptors

InChI

1S/C25H36O4S/c1-15(26)30-18-6-9-23(2)17(13-18)4-5-21-20(23)7-10-24(3)19(8-11-25(21,24)28)16-12-22(27)29-14-16/h12,17-21,28H,4-11,13-14H2,1-3H3/t17-,18+,19-,20+,21-,23+,24-,25?/m1/s1

InChIKey

XJCCESAEINXXLY-LJTBVTBPSA-N

Smiles

CC(=O)S[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4(C3(CC[C@@H]4C5=CC(=O)OC5)O)C)C