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Substance Name: Grayanotoxane-3,5,6,10,14,16-hexol, cyclic 5,6-(ethylidene acetal), (3-beta,6-beta,14R)-
RN: 59236-85-0
InChIKey: YVXPTZDFOGVPAR-RRPUXGMQSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C22-H36-O6

Molecular Weight

  • 396.5204
 
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Names and Synonyms

Synonym

  • 5,6-Ethylidene-grayanotoxin III

Systematic Name

  • Grayanotoxane-3,5,6,10,14,16-hexol, cyclic 5,6-(ethylidene acetal), (3-beta,6-beta,14R)-

Registry Numbers

CAS Registry Number

  • 59236-85-0

System Generated Number

  • 0059236850

Structure Descriptors

InChI

1S/C22H36O6/c1-11-27-16-9-21-10-19(4,25)12(17(21)24)6-7-13(21)20(5,26)14-8-15(23)18(2,3)22(14,16)28-11/h11-17,23-26H,6-10H2,1-5H3/t11?,12?,13-,14-,15-,16+,17-,19+,20+,21?,22?/m0/s1

InChIKey

YVXPTZDFOGVPAR-RRPUXGMQSA-N

Smiles

CC1O[C@@H]2CC34C[C@@](C([C@@H]3O)CC[C@H]4[C@@]([C@H]5C2(O1)C([C@H](C5)O)(C)C)(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.