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Substance Name: Dihydrolyoniol B
RN: 29708-82-5
InChIKey: MZWHHKYLYHLLHP-IPYUSOFXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H34-O6

Molecular Weight

  • 370.483
 
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Names and Synonyms

Results Name

  • Dihydrolyoniol B

Synonyms

  • Dihydrodeacetyllyoniatoxin
  • Dihydrolyoniol-B
  • Lyoniatoxin, dihydrodeacetyl-

Systematic Name

  • Grayanotoxane-3,5,6,7,10,16-hexol, (3-beta,6-beta,7-alpha)-

Registry Numbers

CAS Registry Number

  • 29708-82-5

System Generated Number

  • 0029708825

Structure Descriptors

InChI

1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-8-19(11,9-17(10,3)24)14(22)15(23)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10-,11-,12-,13-,14+,15+,17+,18+,19?,20-/m0/s1

InChIKey

MZWHHKYLYHLLHP-IPYUSOFXSA-N

Smiles

O[C@]12[C@@H]([C@@H](O)[C@@]34[C@@H](CC[C@@H]([C@](C3)(C)O)C4)[C@@](C)([C@@H]1C[C@@H](C2(C)C)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1930ug/kg (1.93mg/kg)   Toxicology and Applied Pharmacology. Vol. 35, Pg. 303, 1976.