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Substance Name: 10-Deoxygrayanotoxin III
RN: 38776-77-1
InChIKey: IGKWESNBSFVVHE-VYIUWCHKSA-N

Molecular Formula

  • C20-H34-O5

Molecular Weight

  • 354.4836
 
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Names and Synonyms

Results Name

  • 10-Deoxygrayanotoxin III

Synonyms

  • 10-Deoxygrayanotoxin III
  • Grayanotoxane-3,5,6,14,16-pentol, (3-beta,6-beta,14R)-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 38776-77-1

System Generated Number

  • 0038776771

Structure Descriptors

InChI

1S/C20H34O5/c1-10-11-5-6-12-16(23)19(11,9-18(12,4)24)8-15(22)20(25)13(10)7-14(21)17(20,2)3/h10-16,21-25H,5-9H2,1-4H3/t10-,11+,12?,13+,14+,15-,16+,18-,19?,20+/m1/s1

InChIKey

IGKWESNBSFVVHE-VYIUWCHKSA-N

Smiles

C[C@@H]1[C@@H]2CCC3[C@@H](C2(C[C@H]([C@]4([C@H]1C[C@@H](C4(C)C)O)O)O)C[C@@]3(C)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1420ug/kg (1.42mg/kg)   Toxicology and Applied Pharmacology. Vol. 35, Pg. 303, 1976.