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Substance Name: Grayanotoxane-3,5,6,10,14,16-hexol, (3-alpha,6-beta,14R)-
RN: 30460-38-9
InChIKey: BWMFRQKICHXLSH-PMDFNMFYSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C20-H34-O6

Molecular Weight

  • 370.483
 
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Names and Synonyms

Synonyms

  • (3-alpha,6-beta,14R)Grayanotoxane-3,5,6,10,14,16-hexol
  • 3-epi-Grayanotoxin III
  • 3-Epigrayanotoxin III

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 30460-38-9

System Generated Number

  • 0030460389

Structure Descriptors

InChI

1S/C20H34O6/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/h10-15,21-26H,5-9H2,1-4H3/t10?,11-,12-,13+,14+,15-,17+,18+,19?,20-/m0/s1

InChIKey

BWMFRQKICHXLSH-PMDFNMFYSA-N

Smiles

C1[C@@]23[C@H]([C@]([C@H]4[C@@](C(C)(C)[C@@H](O)C4)(O)[C@@H]1O)(O)C)CC[C@@H]([C@](C)(O)C2)[C@H]3O

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.