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Substance Name: 14-Dehydroxy-3-glucodigitoxigenin
RN: 102492-19-3
InChIKey: ZHVOBYWXERUHMN-KVJKMEBSSA-N

Note

  • Digitoxin containing only 1 glucose group in position 3 & lacking the hydroxyl group in position 14.

Molecular Formula

  • C29-H44-O8

Molecular Weight

  • 520.659
 
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Names and Synonyms

Name of Substance

  • 14-Dehydroxy-3-glucodigitoxigenin

Synonym

  • Dig-3

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 102492-19-3

System Generated Number

  • 0102492193

Structure Descriptors

InChI

1S/C29H44O8/c1-28-9-7-17(36-27-26(34)25(33)24(32)22(13-30)37-27)12-16(28)3-4-18-20-6-5-19(15-11-23(31)35-14-15)29(20,2)10-8-21(18)28/h11,16-22,24-27,30,32-34H,3-10,12-14H2,1-2H3/t16-,17+,18+,19-,20+,21+,22-,24-,25+,26-,27-,28+,29-/m1/s1

InChIKey

ZHVOBYWXERUHMN-KVJKMEBSSA-N

Smiles

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