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Substance Name: Ketolyoniol A
RN: 29708-80-3
InChIKey: IOFIKUYTFHNVGL-VKJWGNSKSA-N

Molecular Formula

  • C22-H32-O7

Molecular Weight

  • 408.488
 
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Names and Synonyms

Results Name

  • Ketolyoniol A

Synonyms

  • 7-Ketolyoniol A
  • Ketolyoniol A

Systematic Names

  • 7,9a-alpha-Methano-9aH-cyclopenta(b)heptalene-10(1H)-one, 2,3,3a-beta,4,4a-beta,5,6,7-beta,8,9,10,11-dodecahydro-2-beta,3-beta-epoxy-4-alpha,8-alpha,11-beta,11a-beta-tetrahydroxy-1,1,4,8-tetramethyl-, 11-acetate
  • Grayanotoxan-7-one, 6-(acetyloxy)-2,3-epoxy-5,10,16-trihydroxy-, (2-beta,3-beta,6-beta)- (9CI)

Registry Numbers

CAS Registry Number

  • 29708-80-3

System Generated Number

  • 0029708803

Structure Descriptors

InChI

1S/C22H32O7/c1-10(23)28-17-15(24)21-8-11(19(4,25)9-21)6-7-12(21)20(5,26)14-13-16(29-13)18(2,3)22(14,17)27/h11-14,16-17,25-27H,6-9H2,1-5H3/t11-,12-,13-,14-,16-,17+,19+,20+,21?,22-/m0/s1

InChIKey

IOFIKUYTFHNVGL-VKJWGNSKSA-N

Smiles

C1([C@@]23C[C@@](C)(O)[C@H](CC[C@H]2[C@](C)([C@@H]2[C@@H]4O[C@@H]4C([C@@]2(O)[C@@H]1OC(C)=O)(C)C)O)C3)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 40mg/kg (40mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)
Chemical and Pharmaceutical Bulletin. Vol. 22, Pg. 884, 1974.