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Substance Name: Digitoxigenin-3-tosyloxyacetate
RN: 78730-58-2
InChIKey: CRVMLCAWYRGXHJ-QIROOBSUSA-N

Molecular Weight

  • 586.742
 
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Names and Synonyms

Name of Substance

  • Digitoxigenin-3-tosyloxyacetate

Synonym

  • DTOAT

Systematic Name

  • Card-20(22)-enolide, 14-hydroxy-3-(((((4-methylphenyl)sulfonyl)oxy)acetyl)oxy)-, (3beta,5alpha)-

Registry Numbers

CAS Registry Number

  • 78730-58-2

System Generated Number

  • 0078730582

Structure Descriptors

InChI

1S/C32H42O8S/c1-20-4-7-24(8-5-20)41(36,37)39-19-29(34)40-23-10-13-30(2)22(17-23)6-9-27-26(30)11-14-31(3)25(12-15-32(27,31)35)21-16-28(33)38-18-21/h4-5,7-8,16,22-23,25-27,35H,6,9-15,17-19H2,1-3H3/t22-,23-,25+,26-,27+,30-,31+,32?/m0/s1

InChIKey

CRVMLCAWYRGXHJ-QIROOBSUSA-N

Smiles

C1[C@@H](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)OC(=O)COS(=O)(=O)c1ccc(cc1)C