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Substance Name: Iso TC 1
RN: 100762-36-5
UNII: X1TCS0QD64
InChIKey: FOHUQNSVOKPYSD-AYSIDWIMSA-N

Note

  • T-2 toxin metabolite in cow urine.

Molecular Formula

  • C24-H34-O10

Molecular Weight

  • 482.5226
 
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Names and Synonyms

Name of Substance

  • Iso TC 1

Synonyms

  • 3,15-Diacetoxy-4-hydroxy-8-(3-methyl-3'-hydroxybutyryloxy)-12,13-epoxytrichothec-9-ene
  • Iso-TC-1
  • UNII-X1TCS0QD64

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 100762-36-5

FDA UNII

  • X1TCS0QD64

System Generated Number

  • 0100762365

Structure Descriptors

InChI

1S/C24H34O10/c1-12-7-16-23(10-30-13(2)25,8-15(12)33-17(27)9-21(4,5)29)22(6)19(28)18(32-14(3)26)20(34-16)24(22)11-31-24/h7,15-16,18-20,28-29H,8-11H2,1-6H3/t15-,16+,18+,19+,20-,22+,23+,24-/m0/s1

InChIKey

FOHUQNSVOKPYSD-AYSIDWIMSA-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)OC(=O)C)O)C)COC(=O)C