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Substance Name: Cheirotoxin
RN: 7044-33-9
InChIKey: CAYUJEAJKPLCAV-LPJFSPNFSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C35-H52-O15

Molecular Weight

  • 712.781
 
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Names and Synonyms

Synonyms

  • Strophanthidin + gulomethylose + glucose
  • Strophanthidin + gulomethylose + glucose [German]

Systematic Name

  • Cheirotoxin

Registry Numbers

CAS Registry Number

  • 7044-33-9

System Generated Number

  • 0007044339

Structure Descriptors

InChI

1S/C35H52O15/c1-16-29(50-31-27(42)25(40)24(39)22(13-36)49-31)26(41)28(43)30(47-16)48-18-3-8-33(15-37)20-4-7-32(2)19(17-11-23(38)46-14-17)6-10-35(32,45)21(20)5-9-34(33,44)12-18/h11,15-16,18-22,24-31,36,39-45H,3-10,12-14H2,1-2H3/t16-,18+,19-,20+,21-,22-,24-,25+,26+,27-,28-,29?,30+,31+,32-,33+,34+,35+/m1/s1

InChIKey

CAYUJEAJKPLCAV-LPJFSPNFSA-N

Smiles

O[C@H]1[C@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@H]3CC[C@@]4([C@H]5CC[C@@]6([C@H](CC[C@@]6([C@@H]5CC[C@@]4(C3)O)O)C3=CC(=O)OC3)C)C=O)[C@@H]([C@@H]2O)O)O[C@@H]([C@H]([C@@H]1O)O)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 119ug/kg (0.119mg/kg)   Helvetica Chimica Acta. Vol. 37, Pg. 755, 1954.