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Substance Name: alpha-Acetylgitoxin
RN: 29362-48-9
InChIKey: SZHBGTRKQDNXNC-RIYHBKJUSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C43-H66-O15

Molecular Weight

  • 822.979
 
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Names and Synonyms

Name of Substance

  • alpha-Acetylgitoxin

Synonyms

  • Acetylgitoxin-alpha
  • Acetylgitoxin-alpha [German]
  • Gitoxigenin + zuckerkette wie bei acetyl-digitoxin-alpha
  • Gitoxigenin + zuckerkette wie bei acetyl-digitoxin-alpha [German]

Systematic Name

  • 5-beta-Card-20(22)-enolide, 3-beta-((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)-14,16-alpha-dihydroxy-, 16-acetate

Registry Numbers

CAS Registry Number

  • 29362-48-9

System Generated Number

  • 0029362489

Structure Descriptors

InChI

1S/C43H66O15/c1-20-38(48)29(45)15-34(52-20)57-31-17-36(54-22(3)40(31)58-35-16-30(46)39(49)21(2)53-35)56-26-9-11-41(5)25(14-26)7-8-28-27(41)10-12-42(6)37(24-13-33(47)51-19-24)32(55-23(4)44)18-43(28,42)50/h13,20-22,25-32,34-40,45-46,48-50H,7-12,14-19H2,1-6H3/t20-,21-,22-,25-,26+,27+,28-,29+,30+,31+,32-,34-,35-,36-,37+,38-,39-,40-,41+,42-,43?/m1/s1

InChIKey

SZHBGTRKQDNXNC-RIYHBKJUSA-N

Smiles

C1[C@@H](C[C@H]2CC[C@H]3[C@@]4(C[C@H]([C@@H](C=5COC(=O)C5)[C@@]4(C)CC[C@H]3[C@@]2(C1)C)OC(=O)C)O)O[C@@H]1C[C@H](O[C@@H]2C[C@H](O)[C@H](O)[C@H](O2)C)[C@H](O[C@@H]2C[C@H](O)[C@H](O)[C@H](O2)C)[C@H](O1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 520ug/kg (0.52mg/kg)   "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963Vol. -, Pg. 187, 1963.
guinea pig LD50 oral 40mg/kg (40mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 159, Pg. 1, 1966.