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Substance Name: Trichothec-9-en-8-one, 12,13-epoxy-7,15-dihydroxy-3-(((9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl)oxy)-, (3alpha,7alpha)-
RN: 131193-54-9
InChIKey: YLIJOZIFUSNENZ-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-7,15-dihydroxy-3-(((9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl)oxy)-, (3alpha,7alpha)-

Registry Numbers

CAS Registry Number

  • 131193-54-9

System Generated Number

  • 0131193549

Structure Descriptors

InChI

1S/C33H48O7/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/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

YLIJOZIFUSNENZ-ABKKUFDSSA-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/C\C=C/CC)=O