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Substance Name: Trichotheca-9,12-diene-3,4,8,15-tetrol, 15-acetate 8-(3-methylbutanoate), (3alpha,4beta,8alpha)-
RN: 99285-99-1
InChIKey: NYSAPOPHBCHQBQ-APLLJLAJSA-N

Molecular Formula

  • C22-H32-O7

Molecular Weight

  • 408.488
 
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Names and Synonyms

Synonyms

  • Deepoxy-HT 2 toxin 3-acetate
  • Deepoxymycotoxin HT 2 3-acetate
  • Deepoxytoxin HT 2 3-acetate

Systematic Name

  • Trichotheca-9,12-diene-3,4,8,15-tetrol, 15-acetate 8-(3-methylbutanoate), (3alpha,4beta,8alpha)-

Registry Numbers

CAS Registry Number

  • 99285-99-1

Other Registry Number

  • 115827-79-7

System Generated Number

  • 0099285991

Structure Descriptors

InChI

1S/C22H32O7/c1-11(2)7-17(24)28-15-9-22(10-27-14(5)23)16(8-12(15)3)29-19-13(4)21(22,6)20(26)18(19)25/h8,11,15-16,18-20,25-26H,4,7,9-10H2,1-3,5-6H3/t15-,16+,18-,19-,20+,21+,22+/m0/s1

InChIKey

NYSAPOPHBCHQBQ-APLLJLAJSA-N

Smiles

C[C@@]12[C@@H]([C@H]([C@H](O[C@@H]3C=C([C@H](C[C@@]13COC(C)=O)OC(CC(C)C)=O)C)C2=C)O)O