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Substance Name: Grayanotox-10(20)-ene-3,5,6,14,16-pentol, 6-acetate, (3-beta,6-beta,14R)-
RN: 59236-87-2
InChIKey: PDRANESJGMJDLG-DSALRGQMSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C23-H34-O6

Molecular Weight

  • 394.5046
 
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Names and Synonyms

Synonym

  • 6-o-Acetylgrayanotoxin II

Systematic Name

  • Grayanotox-10(20)-ene-3,5,6,14,16-pentol, 6-acetate, (3-beta,6-beta,14R)-

Registry Numbers

CAS Registry Number

  • 59236-87-2

System Generated Number

  • 0059236872

Structure Descriptors

InChI

1S/C22H34O6/c1-11-13-6-7-14-18(25)21(13,10-20(14,5)26)9-17(28-12(2)23)22(27)15(11)8-16(24)19(22,3)4/h13-18,24-27H,1,6-10H2,2-5H3/t13-,14?,15-,16-,17+,18-,20+,21?,22-/m0/s1

InChIKey

PDRANESJGMJDLG-DSALRGQMSA-N

Smiles

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