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Substance Name: Grayanotoxin VII
RN: 30460-59-4
UNII: 79JEO8F2C2
InChIKey: GIUXMMHBAIUPAN-RELJXXFQSA-N

Molecular Formula

  • C20-H30-O4

Molecular Weight

  • 334.453
 
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Names and Synonyms

Results Name

  • Grayanotoxin VII

Name of Substance

  • Grayanotoxin VII

Synonyms

  • BRN 2165050
  • Grayanotoxa-10(20),15-diene-3,5,6,14-tetrol, (3-beta,6-beta,14R)-
  • Grayanotoxin VII
  • UNII-79JEO8F2C2

Systematic Name

  • 7,9aa-Methano-9aH-cyclopenta(b)heptalene-2,11,11a-beta,12(1H)-tetrol, 2a,3,3aa,4,4a-beta,5,6,7-beta,10,11a-decahydro-1,1,8-trimethyl-4-methylene-

Registry Numbers

CAS Registry Number

  • 30460-59-4

FDA UNII

  • 79JEO8F2C2

System Generated Number

  • 0030460594

Structure Descriptors

InChI

1S/C20H30O4/c1-10-8-19-9-16(22)20(24)14(7-15(21)18(20,3)4)11(2)13(19)6-5-12(10)17(19)23/h8,12-17,21-24H,2,5-7,9H2,1,3-4H3/t12-,13-,14-,15-,16+,17+,19+,20-/m0/s1

InChIKey

GIUXMMHBAIUPAN-RELJXXFQSA-N

Smiles

CC1=C[C@@]23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)C(=C)[C@@H]2CC[C@@H]1[C@H]3O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 12370ug/kg (12.37mg/kg)   Toxicology and Applied Pharmacology. Vol. 35, Pg. 303, 1976.