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Substance Name: Trichothec-9-en-8-one, 12,13-epoxy-7,15-dihydroxy-3-((1-oxo-9,12-octadecadienyl)oxy)-, (3alpha(9Z,12Z),7alpha)-
RN: 131180-26-2
InChIKey: OHBWYIQKUJZKGZ-OAJQKCHSSA-N

Molecular Formula

  • C33-H50-O7

Molecular Weight

  • 558.751
 
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Names and Synonyms

  • Trichothec-9-en-8-one, 12,13-epoxy-7,15-dihydroxy-3-((1-oxo-9,12-octadecadienyl)oxy)-, (3alpha(9Z,12Z),7alpha)-

Registry Numbers

CAS Registry Number

  • 131180-26-2

System Generated Number

  • 0131180262

Structure Descriptors

InChI

1S/C33H50O7/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(35)39-25-21-31(3)32(22-34)26(20-24(2)28(36)29(32)37)40-30(25)33(31)23-38-33/h8-9,11-12,20,25-26,29-30,34,37H,4-7,10,13-19,21-23H2,1-3H3/b9-8-,12-11+/t25-,26-,29-,30-,31-,32-,33?/m1/s1

InChIKey

OHBWYIQKUJZKGZ-OAJQKCHSSA-N

Smiles

C1[C@H]([C@H]2O[C@@H]3C=C(C([C@H]([C@@]3([C@@]1(C)[C@@]12CO1)CO)O)=O)C)OC(CCCCCCC\C=C\C\C=C/CCCCC)=O