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Substance Name: 7-Hydroxydigoxin
RN: 72908-79-3
InChIKey: SSTIGRQLABJIFK-RJEWBCRLSA-N

Molecular Formula

  • C41-H64-O15

Molecular Weight

  • 797.9495
 
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Names and Synonyms

Name of Substance

  • 7-Hydroxydigoxin

Synonym

  • 7beta-Hydroxydigoxin

Systematic Name

  • Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-7,12,14-trihydroxy-, (3beta,5beta,7beta,12beta)-

Registry Numbers

CAS Registry Number

  • 72908-79-3

System Generated Number

  • 0072908793

Structure Descriptors

InChI

1S/C41H65O15/c1-20-36(48)27(43)15-35(52-20)55-29-18-51-33(14-26(29)42)56-37-21(2)53-34(16-28(37)44)54-24-5-8-38(3)19-40(31(46)13-23(38)12-24)9-7-30(45)39(4)25(6-10-41(39,40)49)22-11-32(47)50-17-22/h11,20-21,23-31,33-37,40,42-46,48-49H,5-10,12-19H2,1-4H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-,30-,31+,33+,34+,35+,36-,37-,38-,39+,41-/m1/s1

InChIKey

SSTIGRQLABJIFK-RJEWBCRLSA-N

Smiles

C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@@H]2CO[C@H](C[C@@H]2O)O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)C[CH]6(CC[C@@H](O)[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)[C@@H](O)C[C@@H]5C4)O[C@@H]3C