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Substance Name: Grayanotoxane-3,5,6,10,14,16-hexol, cyclic 5,6:14,16-bis(ethylidene acetal), (3-beta,6-beta,14R)-
RN: 59331-15-6
InChIKey: OGGFJNLHEDPHQD-SQQNBRQQSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C24-H38-O6

Molecular Weight

  • 422.5582
 
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Names and Synonyms

Synonym

  • 5,6:14,16-Diethylidine-grayanotoxin III

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 59331-15-6

System Generated Number

  • 0059331156

Structure Descriptors

InChI

1S/C24H38O6/c1-12-27-18-10-23-11-21(5)14(19(23)28-13(2)29-21)7-8-15(23)22(6,26)16-9-17(25)20(3,4)24(16,18)30-12/h12-19,25-26H,7-11H2,1-6H3/t12?,13?,14-,15+,16+,17+,18-,19-,21-,22-,23+,24+/m1/s1

InChIKey

OGGFJNLHEDPHQD-SQQNBRQQSA-N

Smiles

CC1O[C@@H]2C[C@@]34C[C@@]5(C)OC(C)O[C@@H]3[C@H]5CC[C@H]4[C@@](C)(O)[C@@H]6C[C@H](O)C(C)(C)[C@@]26O1

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.