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Substance Name: 5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-3-O-methyl-beta-L-glucopyranosyl)oxy)-14-hydroxy-, 4',14-diacetate
RN: 101418-21-7
InChIKey: HCDHBGAWZMUQSN-DVPCZNHPSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C34-H50-O10

Molecular Weight

  • 618.759
 
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Names and Synonyms

Synonyms

  • Neriifolin-diacetat
  • Neriifolin-diacetat [German]

Systematic Name

  • 5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-3-O-methyl-beta-L-glucopyranosyl)oxy)-14-hydroxy-, 4',14-diacetate

Registry Numbers

CAS Registry Number

  • 101418-21-7

System Generated Number

  • 0101418217

Structure Descriptors

InChI

1S/C34H50O10/c1-18-29(42-19(2)35)30(39-6)28(38)31(41-18)43-23-9-12-32(4)22(16-23)7-8-26-25(32)10-13-33(5)24(21-15-27(37)40-17-21)11-14-34(26,33)44-20(3)36/h15,18,22-26,28-31,38H,7-14,16-17H2,1-6H3/t18?,22-,23+,24-,25?,26?,28?,29-,30?,31+,32+,33-,34+/m1/s1

InChIKey

HCDHBGAWZMUQSN-DVPCZNHPSA-N

Smiles

C1[C@@]2([C@@H]3[C@@H]([C@@]4([C@@H](C[C@@H](O[C@H]5[C@@H]([C@H]([C@H](OC(C)=O)[C@@H](O5)C)OC)O)CC4)CC3)C)CC[C@@]2([C@H](C2=CC(=O)OC2)C1)C)OC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 590ug/kg (0.59mg/kg)   "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963Vol. -, Pg. 192, 1963.