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Substance Name: Neosoloaniol monoacetate
RN: 65041-92-1
InChIKey: BIQPSTSCCIEMEI-HXZSLLSJSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C20-H28-O9

Molecular Weight

  • 424.4432
 
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Names and Synonyms

Name of Substance

  • Neosolaniol
  • Neosoloaniol monoacetate

Synonyms

  • 3-Hydroxy-4beta,8-alpha,15-triacetoxy-12,13-epoxytrichothec-9-ene
  • 4-beta,8-alpha,15-Triacetoxy-3-alpha-hydroxy-12,13-epoxytrichothec-9-ene
  • 8-Acetylneosolaniol
  • Neosolaniol monoacetate
  • Trichothec-9-ene, 12,13-epoxy-4-beta,8-alpha,15-triacetoxy-3-alpha-hydroxy-

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 65041-92-1

System Generated Number

  • 0065041921

Structure Descriptors

InChI

1S/C21H28O9/c1-10-6-15-20(8-26-11(2)22,7-14(10)28-12(3)23)19(5)17(29-13(4)24)16(25)18(30-15)21(19)9-27-21/h6,14-18,25H,7-9H2,1-5H3/t14-,15+,16+,17+,18+,19+,20+,21-/m0/s1

InChIKey

BIQPSTSCCIEMEI-HXZSLLSJSA-N

Smiles

CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)C)([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 789ug/kg (0.789mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Journal of Agricultural and Food Chemistry. Vol. 26, Pg. 246, 1978.
guinea pig LD50 oral 500ug/kg (0.5mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH

BLOOD: HEMORRHAGE
Developments in Food Science. Vol. 4, Pg. 135, 1983.