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Substance Name: Grayanotoxane-3,5,6,10,14,16-hexol, 6-acetate, (3-beta,6-beta,14R)-
RN: 54781-72-5
InChIKey: FAQBWQCBGONEEW-NRRITJRQSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C22-H36-O7

Molecular Weight

  • 412.5194
 
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Names and Synonyms

Synonym

  • 6-O-Acetylgrayanotoxin III

Systematic Name

  • Grayanotoxane-3,5,6,10,14,16-hexol, 6-acetate, (3-beta,6-beta,14R)-

Registry Numbers

CAS Registry Number

  • 54781-72-5

System Generated Number

  • 0054781725

Structure Descriptors

InChI

1S/C22H36O7/c1-11(23)29-16-9-21-10-19(4,26)12(17(21)25)6-7-13(21)20(5,27)14-8-15(24)18(2,3)22(14,16)28/h12-17,24-28H,6-10H2,1-5H3/t12?,13-,14-,15-,16+,17-,19+,20+,21?,22-/m0/s1

InChIKey

FAQBWQCBGONEEW-NRRITJRQSA-N

Smiles

CC(=O)O[C@@H]1CC23C[C@@](C([C@@H]2O)CC[C@H]3[C@@]([C@H]4[C@]1(C([C@H](C4)O)(C)C)O)(C)O)(C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 100mg/kg (100mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: ATAXIA
Toxicology and Applied Pharmacology. Vol. 35, Pg. 303, 1976.