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Substance Name: 5-alpha-Card-20(22)-enolide, 3-beta-((6-deoxy-3-O-methylgalactopyranosyl)oxy)-14-hydroxy-19-oxo-
RN: 101470-86-4
InChIKey: PMTSPAGBAFCORP-SQAZWHIYSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C30-H44-O9

Molecular Weight

  • 548.669
 
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Names and Synonyms

Synonyms

  • Christyosid
  • Christyosid [German]
  • Christyoside
  • Corotoxigenin-beta-D-digitalosid
  • Corotoxigenin-beta-D-digitalosid [German]

Systematic Name

  • 5-alpha-Card-20(22)-enolide, 3-beta-((6-deoxy-3-O-methylgalactopyranosyl)oxy)-14-hydroxy-19-oxo-

Registry Numbers

CAS Registry Number

  • 101470-86-4

System Generated Number

  • 0101470864

Structure Descriptors

InChI

1S/C30H44O9/c1-16-24(33)26(36-3)25(34)27(38-16)39-19-6-10-29(15-31)18(13-19)4-5-22-21(29)7-9-28(2)20(8-11-30(22,28)35)17-12-23(32)37-14-17/h12,15-16,18-22,24-27,33-35H,4-11,13-14H2,1-3H3/t16?,18-,19-,20+,21?,22?,24-,25?,26?,27-,28+,29+,30-/m0/s1

InChIKey

PMTSPAGBAFCORP-SQAZWHIYSA-N

Smiles

C1[C@@]2([C@@H]3[C@@H]([C@@]4([C@]([C@@H](C=5COC(C5)=O)CC4)(C)CC3)O)CC[C@H]2C[C@H](O[C@H]2[C@@H]([C@H]([C@@H](O)[C@@H](O2)C)OC)O)C1)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 2500ug/kg (2.5mg/kg)   "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963Vol. -, Pg. 189, 1963.