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Substance Name: Asebotoxin I
RN: 23984-17-0
InChIKey: UVIOAKNWFGGRCJ-SZLBESSXSA-N

Molecular Formula

  • C23-H38-O7

Molecular Weight

  • 426.546
 
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Names and Synonyms

Results Name

  • Asebotoxin I

Synonyms

  • Asebotoxin I
  • Grayanotoxane-3,5,6,10,14,16-hexol, 14-propionate, (3-beta,6-beta,14R)-

Systematic Name

  • 7,9a-Methano-9a-alpha-H-cyclopenta(b)-heptalene-2,4,8,11,11a-beta,12(1H)-hexol, 2-alpha,3,3a-beta,4,4a-beta,5,6,7-beta,8,9,10,11-alpha-dodecahydro-1,1,4-beta,8-beta-tetramethyl-, 12-propionate

Registry Numbers

CAS Registry Number

  • 23984-17-0

System Generated Number

  • 0023984170

Structure Descriptors

InChI

1S/C23H38O7/c1-6-17(26)30-18-12-7-8-13-21(5,28)14-9-15(24)19(2,3)23(14,29)16(25)10-22(13,18)11-20(12,4)27/h12-16,18,24-25,27-29H,6-11H2,1-5H3/t12-,13+,14+,15+,16-,18?,20-,21-,22+,23+/m1/s1

InChIKey

UVIOAKNWFGGRCJ-SZLBESSXSA-N

Smiles

C1[C@]23C[C@]([C@@H](CC[C@H]2[C@@](C)(O)[C@H]2[C@@]([C@@H]1O)(O)C([C@H](C2)O)(C)C)[C@H]3OC(CC)=O)(O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intravenous 40ug/kg (0.04mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Archives of Toxicology. Vol. 44, Pg. 259, 1980.
mouse LD50 intraperitoneal 510ug/kg (0.51mg/kg)   Toxicology and Applied Pharmacology. Vol. 35, Pg. 303, 1976.