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Substance Name: Grayanotoxane-3,5,6,7,10,16-hexol, cyclic 5,6-(1-methylethylidene acetyl), (3-beta,6-beta,7-alpha)-
RN: 52795-01-4
InChIKey: LOQRYJCRHLVLHR-IMVHABQJSA-N

Molecular Formula

  • C23-H38-O6

Molecular Weight

  • 410.5472
 
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Names and Synonyms

Synonym

  • 5,6-O-Isopropylidene-dihydrolyoniol-B

Systematic Name

  • Grayanotoxane-3,5,6,7,10,16-hexol, cyclic 5,6-(1-methylethylidene acetyl), (3-beta,6-beta,7-alpha)-

Registry Numbers

CAS Registry Number

  • 52795-01-4

System Generated Number

  • 0052795014

Structure Descriptors

InChI

1S/C23H38O6/c1-18(2)15(24)9-14-21(6,27)13-8-7-12-10-22(13,11-20(12,5)26)16(25)17-23(14,18)29-19(3,4)28-17/h12-17,24-27H,7-11H2,1-6H3/t12-,13-,14-,15-,16+,17+,20+,21+,22?,23?/m0/s1

InChIKey

LOQRYJCRHLVLHR-IMVHABQJSA-N

Smiles

C[C@]1(CC23C[C@@H]1CC[C@H]2[C@@]([C@@H]4C[C@@H](C(C45[C@@H]([C@H]3O)OC(O5)(C)C)(C)C)O)(C)O)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.