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Substance Name: Grayanotoxin-III, 14-deoxy-
RN: 54781-61-2
InChIKey: YNIUAILTDFXIBZ-ILADQGSASA-N

Molecular Formula

  • C20-H34-O5

Molecular Weight

  • 354.4836
 
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Names and Synonyms

Results Name

  • Grayanotoxin-III, 14-deoxy-

Synonym

  • 14-Deoxy-grayanotoxin-III

Systematic Name

  • 7,9a-Methano-9aH-cyclopenta(b)heptalene-2,4,8,11,11a(1H)-pentol, dodecahydro-1,1,4,8-tetramethyl-, (2S,3as,4R,4ar,7R,8R,9as,11R,11aR,12R)-

Registry Numbers

CAS Registry Number

  • 54781-61-2

System Generated Number

  • 0054781612

Structure Descriptors

InChI

1S/C20H34O5/c1-16(2)14(21)7-13-18(4,24)12-6-5-11-8-19(12,10-17(11,3)23)9-15(22)20(13,16)25/h11-15,21-25H,5-10H2,1-4H3/t11-,12-,13-,14-,15+,17+,18+,19?,20-/m0/s1

InChIKey

YNIUAILTDFXIBZ-ILADQGSASA-N

Smiles

C[C@]1(CC23C[C@@H]1CC[C@H]2[C@@]([C@@H]4C[C@@H](C([C@]4([C@@H](C3)O)O)(C)C)O)(C)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intravenous 160ug/kg (0.16mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Archives of Toxicology. Vol. 44, Pg. 259, 1980.