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Substance Name: Grayanotoxan-6-one, 3,5,10,14,16-pentahydroxy-, (3-beta,14R)-
RN: 54781-74-7
InChIKey: JNCWOJJBQVWMJO-HYIDEHJMSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C20-H32-O6

Molecular Weight

  • 368.4668
 
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Names and Synonyms

Synonyms

  • (3-beta,14R)-3,5,10,14,16-Pentahydroxygrayanotoxan-6-one
  • 6-Dehydrograyanotoxin III
  • 6-Ketograyanotoxin III

Systematic Name

  • Grayanotoxan-6-one, 3,5,10,14,16-pentahydroxy-, (3-beta,14R)-

Registry Numbers

CAS Registry Number

  • 54781-74-7

System Generated Number

  • 0054781747

Structure Descriptors

InChI

1S/C20H32O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-13,15,21,23-26H,5-9H2,1-4H3/t10?,11-,12-,13-,15-,17+,18+,19?,20-/m0/s1

InChIKey

JNCWOJJBQVWMJO-HYIDEHJMSA-N

Smiles

C[C@]1(CC23CC(=O)[C@]4([C@@H](C[C@@H](C4(C)C)O)[C@]([C@@H]2CCC1[C@@H]3O)(C)O)O)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.