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Substance Name: 3'-Hydroxy HT-2 toxin
RN: 78368-54-4
UNII: NAE258M59Q
InChIKey: OJBCMLLFVXXDGS-QDSVCGCGSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C22-H32-O9

Molecular Weight

  • 440.4858
 
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Names and Synonyms

Name of Substance

  • 3'-Hydroxy HT-2 toxin

Synonyms

  • 3'-Hydroxy HT-2 toxin
  • UNII-NAE258M59Q

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 78368-54-4

FDA UNII

  • NAE258M59Q

Other Registry Numbers

  • 84598-16-3
  • 97373-17-6

System Generated Number

  • 0078368544

Structure Descriptors

InChI

1S/C22H32O9/c1-11-6-14-21(9-28-12(2)23,7-13(11)30-15(24)8-19(3,4)27)20(5)17(26)16(25)18(31-14)22(20)10-29-22/h6,13-14,16-18,25-27H,7-10H2,1-5H3/t13-,14+,16+,17+,18+,20+,21+,22-/m0/s1

InChIKey

OJBCMLLFVXXDGS-QDSVCGCGSA-N

Smiles

CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)(C)O)([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
mouse LD50 intraperitoneal 22800ug/kg (22.8mg/kg)   Agricultural and Biological Chemistry. Vol. 46, Pg. 2613, 1982.