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Substance Name: 7-Hydroxydigitoxin
RN: 18810-27-0
InChIKey: DQJAXSGRHYCYTQ-KQMLXJBFSA-N

Molecular Formula

  • C41-H64-O14

Molecular Weight

  • 780.9426
 
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Names and Synonyms

Name of Substance

  • 7-Hydroxydigitoxin

Synonym

  • 7beta-Hydroxydigitoxin

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)-7,14-dihydroxy-, (3beta,5beta,7beta)-

Registry Numbers

CAS Registry Number

  • 18810-27-0

System Generated Number

  • 0018810270

Structure Descriptors

InChI

1S/C41H64O14/c1-19-36(46)28(43)15-32(50-19)54-30-17-34(52-21(3)38(30)55-33-16-29(44)37(47)20(2)51-33)53-24-6-9-39(4)23(13-24)14-27(42)35-26(39)7-10-40(5)25(8-11-41(35,40)48)22-12-31(45)49-18-22/h12,19-21,23-30,32-38,42-44,46-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23+,24+,25-,26+,27+,28+,29+,30+,32-,33-,34-,35+,36-,37-,38-,39+,40-,41?/m1/s1

InChIKey

DQJAXSGRHYCYTQ-KQMLXJBFSA-N

Smiles

C[C@@H]1[C@H]([C@H](C[C@H](O1)O[C@H]2C[C@H](O[C@@H]([C@H]2O[C@@H]3C[C@@H]([C@@H]([C@H](O3)C)O)O)C)O[C@H]4CC[C@@]5([C@H]6CC[C@@]7([C@H](CCC7([C@@H]6[C@H](C[C@@H]5C4)O)O)C8=CC(=O)OC8)C)C)O)O