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Substance Name: Solaniol
RN: 36519-25-2
InChIKey: TVZHDVCTOCZDNE-XERHNWJPSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C19-H26-O8

Molecular Weight

  • 382.4064
 
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Names and Synonyms

Results Name

  • Solaniol

Synonyms

  • 4-beta,15-Diacetoxy-3-alpha,8-alpha-dihydroxy-12,13-epoxytrichothec-9-ene
  • BRN 3657281
  • Neosolaniol
  • Neozolaniol
  • NSC 197212
  • Solaniol (sesquiterpene)
  • Solaniol (VAN)
  • Trichothec-9-ene, 12,13-epoxy-4-beta,15-diacetoxy-3-alpha,8-alpha-dihydroxy-
  • Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate

Systematic Name

  • Trichothec-9-ene-3-alpha,4-beta,8-alpha,15-tetrol, 12,13-epoxy-, 4,15-diacetate

Registry Numbers

CAS Registry Number

  • 36519-25-2

System Generated Number

  • 0036519252

Structure Descriptors

InChI

1S/C19H26O8/c1-9-5-13-18(6-12(9)22,7-24-10(2)20)17(4)15(26-11(3)21)14(23)16(27-13)19(17)8-25-19/h5,12-16,22-23H,6-8H2,1-4H3/t12-,13+,14+,15+,16+,17-,18+,19-/m0/s1

InChIKey

TVZHDVCTOCZDNE-XERHNWJPSA-N

Smiles

CC1=C[C@@H]2[C@](C[C@@H]1O)([C@@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 oral 24870ug/kg (24.87mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: FOOD INTAKE (ANIMAL)
Applied and Environmental Microbiology. Vol. 35, Pg. 636, 1978.
mouse LD50 intraperitoneal 14500ug/kg (14.5mg/kg)   Japanese Journal of Experimental Medicine. Vol. 42, Pg. 187, 1972.
mouse LD50 subcutaneous 9700ug/kg (9.7mg/kg)   Toxicon. Vol. 24, Pg. 985, 1986.