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Substance Name: Monoacetoxyscirpenol
RN: 2531-11-5
InChIKey: YIFMFXZUYBFVFL-DIRMQTSCSA-N

Molecular Formula

  • C17-H24-O6

Molecular Weight

  • 324.371
 
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Names and Synonyms

Name of Substance

  • Monoacetoxyscirpenol

Synonyms

  • 4-Acetoxyscirpenol
  • 4-O-Acetoxyscirpenol
  • Scirp-9-ene-3alpha,4beta,15-triol, 4-acetate
  • Spiro(2,5-methano-1-benzoxepin-10,2'-oxirane), trichothec-9-ene-3,4,15-triol deriv.

Systematic Names

  • Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 4-acetate, (3alpha,4beta)-
  • Trichothec-9-ene-3alpha,4beta,15-triol, 12,13-epoxy-, 4-acetate

Registry Numbers

CAS Registry Number

  • 2531-11-5

Other Registry Numbers

  • 174421-34-2
  • 96699-75-1

System Generated Number

  • 0002531115

Structure Descriptors

InChI

1S/C17H24O6/c1-9-4-5-16(7-18)11(6-9)23-14-12(20)13(22-10(2)19)15(16,3)17(14)8-21-17/h6,11-14,18,20H,4-5,7-8H2,1-3H3/t11-,12-,13-,14-,15?,16-,17?/m1/s1

InChIKey

YIFMFXZUYBFVFL-DIRMQTSCSA-N

Smiles

O1[C@@]2([C@@H]3O[C@@H]4C=C(CC[C@@]4(CO)[C@@]2([C@@H]([C@H]3O)OC(=O)C)C)C)C1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 oral 9600ug/kg (9.6mg/kg) BEHAVIORAL: FOOD INTAKE (ANIMAL)

SKIN AND APPENDAGES (SKIN): NAILS: OTHER

BLOOD: HEMORRHAGE
Poultry Science. Vol. 69, Pg. 397, 1990.