Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Deacetyllyoniol A acetonide
RN: 28836-76-2
InChIKey: HPQFYQHUOHFCQY-UKCOSPBMSA-N

Molecular Formula

  • C23-H36-O6

Molecular Weight

  • 408.531
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • Deacetyllyoniol A acetonide

Synonyms

  • Deacetyllyoniol A acetonide
  • Grayanotoxane-5,6,7,10,16-pentol, 2,3-epoxy-, cyclic 6,7-(1-methylethylidene acetal)

Systematic Name

  • 3b-beta,6-Methano-36H-oxireno(3',4')cyclopenta(1',2':3,4)heptaleno(1,2-d)-1,3-dioxole-5,9,11a-alpha(4H)-triol, 3a-alpha,5,6-alpha,7,8,8a-alpha,9,9a-alpha,9b-beta,10a-beta,11,11b-beta-dodecahydro-2,2,5-alpha,9-alpha,11,11-hexamethyl-

Registry Numbers

CAS Registry Number

  • 28836-76-2

System Generated Number

  • 0028836762

Structure Descriptors

InChI

1S/C23H36O6/c1-18(2)15-13(27-15)14-21(6,25)12-8-7-11-9-22(12,10-20(11,5)24)16-17(23(14,18)26)29-19(3,4)28-16/h11-17,24-26H,7-10H2,1-6H3/t11-,12-,13-,14-,15-,16+,17+,20+,21+,22?,23-/m0/s1

InChIKey

HPQFYQHUOHFCQY-UKCOSPBMSA-N

Smiles

C1[C@@H]2[C@@]3([C@@H]4OC(O[C@H]4[C@@]4([C@H]([C@]2(C)O)[C@@H]2O[C@H]2C4(C)C)O)(C)C)C[C@@](C)(O)[C@H](C1)C3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 610ug/kg (0.61mg/kg)   Toxicology and Applied Pharmacology. Vol. 35, Pg. 303, 1976.