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Substance Name: Trichothec-9-en-8-one, 12,13-epoxy-3,7-dihydroxy-15-((1-oxo-9,12,15-octadecatrienyl)oxy)-, (3alpha,7alpha,15(9Z,12Z,15Z))-
RN: 131180-28-4
InChIKey: MKROQSXSBLYZJN-ABKKUFDSSA-N

Molecular Formula

  • C33-H48-O7

Molecular Weight

  • 556.735
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 131180-28-4

System Generated Number

  • 0131180284

Structure Descriptors

InChI

1S/C33H48O7/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(35)38-22-32-26(20-24(2)28(36)29(32)37)40-30-25(34)21-31(32,3)33(30)23-39-33/h5-6,8-9,11-12,20,25-26,29-30,34,37H,4,7,10,13-19,21-23H2,1-3H3/b6-5-,9-8-,12-11+/t25-,26-,29-,30-,31-,32-,33?/m1/s1

InChIKey

MKROQSXSBLYZJN-ABKKUFDSSA-N

Smiles

C1[C@H]([C@H]2O[C@@H]3C=C(C([C@H]([C@@]3([C@@]1(C)[C@@]12CO1)COC(CCCCCCC\C=C\C\C=C/C\C=C/CC)=O)O)=O)C)O