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Substance Name: 15-Acetoxyscirpen-3,4-diol
RN: 2623-22-5
InChIKey: IRXDUBNENLKYTC-OINWIYPRSA-N

Note

  • Hydrolysis product of anguidine.

Classification Codes

  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C17-H24-O6

Molecular Weight

  • 324.3706
 
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Names and Synonyms

Name of Substance

  • 15-Acetoxyscirpen-3,4-diol

Synonyms

  • (3-alpha)-12,13-Epoxytrichothec-9-ene-3,4,15-triol 15-acetate
  • 15-Acetoxyscirpenol
  • 15-Acetylscirpenetriol
  • 15-Mono-O-acetylscirpenol
  • 15-O-Acetylscirpenetriol
  • 4-Deacetylanguidin
  • Deacetylanguidin
  • Desacetylanguidine
  • NSC 267030
  • Scirp-9-ene-3alpha,4beta,15-triol, 12,13-epoxy-, 15-acetate
  • Trichothec-9-ene-3alpha,4beta,15-triol, 12,13-epoxy-, 15-acetate

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 2623-22-5

Other Registry Numbers

  • 174421-33-1
  • 852222-55-0

System Generated Number

  • 0002623225

Structure Descriptors

InChI

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

InChIKey

IRXDUBNENLKYTC-OINWIYPRSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 oral 2500ug/kg (2.5mg/kg) BLOOD: HEMORRHAGE

SKIN AND APPENDAGES (SKIN): NAILS: OTHER

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Poultry Science. Vol. 69, Pg. 397, 1990.
mouse LD50 intraperitoneal 4500ug/kg (4.5mg/kg)   Toxicon. Vol. 24, Pg. 985, 1986.
mouse LD50 subcutaneous 7800ug/kg (7.8mg/kg)   Toxicon. Vol. 24, Pg. 985, 1986.
rat LD50 subcutaneous 725ug/kg (0.725mg/kg)   Developments in Food Science. Vol. 4, Pg. 135, 1983.