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Substance Name: Trichothec-9-ene-3,8-diol, 12,13-epoxy-, 3-acetate, (3alpha,8alpha)-
RN: 99571-99-0
InChIKey: NQHODXMQWISCDQ-HTTPJUNLSA-N

Molecular Formula

  • C17-H24-O5

Molecular Weight

  • 308.372
 
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Names and Synonyms

  • Trichothec-9-ene-3,8-diol, 12,13-epoxy-, 3-acetate, (3alpha,8alpha)-

Registry Numbers

CAS Registry Number

  • 99571-99-0

System Generated Number

  • 0099571990

Structure Descriptors

InChI

1S/C17H24O5/c1-9-5-13-15(3,6-11(9)19)16(4)7-12(21-10(2)18)14(22-13)17(16)8-20-17/h5,11-14,19H,6-8H2,1-4H3/t11-,12+,13+,14+,15-,16+,17?/m0/s1

InChIKey

NQHODXMQWISCDQ-HTTPJUNLSA-N

Smiles

C1[C@H]([C@H]2O[C@@H]3C=C([C@H](C[C@@]3([C@@]1(C)[C@@]12CO1)C)O)C)OC(C)=O