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Substance Name: 4'''-(2-Ethyldiazomalonyl)digitoxin
RN: 74746-51-3
InChIKey: WCICZZGHQMUQEI-UHFFFAOYSA-N

Molecular Weight

  • 905.041
 
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Names and Synonyms

Name of Substance

  • 4'''-(2-Ethyldiazomalonyl)digitoxin

Synonyms

  • 4'''-Damd
  • 4'''-Edmd

Systematic Name

  • Card-20(22)-enolide, 3-((O-2,6-dideoxy-4-O-(2-diazo-3-ethoxy-1,3-dioxopropyl)-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-, (3beta,5beta)-

Registry Numbers

CAS Registry Number

  • 74746-51-3

System Generated Number

  • 0074746513

Structure Descriptors

InChI

1S/C46H68N2O16/c1-7-56-42(53)38(48-47)43(54)64-41-24(4)60-37(20-33(41)51)63-40-23(3)59-36(19-32(40)50)62-39-22(2)58-35(18-31(39)49)61-27-10-13-44(5)26(17-27)8-9-30-29(44)11-14-45(6)28(12-15-46(30,45)55)25-16-34(52)57-21-25/h16,22-24,26-33,35-37,39-41,49-51,55H,7-15,17-21H2,1-6H3

InChIKey

WCICZZGHQMUQEI-UHFFFAOYSA-N

Smiles

O1[C@@H](C)[C@@H](OC(C(C(=O)OCC)=N#N)=O)[C@@H](O)C[C@@H]1O[C@@H]1[C@@H](C)O[C@@H](O[C@@H]2[C@@H](O[C@@H](C[C@@H]2O)O[C@@H]2CC[C@@]3([C@@H]4CC[C@@]5(C)[C@@H](CC[C@@]5([C@@H]4CC[C@@H]3C2)O)C2=CC(=O)OC2)C)C)C[C@@H]1O