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Substance Name: Trichothec-9-en-8-one, 12,13-epoxy-3,7-dihydroxy-15-((1-oxooctadecyl)oxy)-, (3alpha,7alpha)-
RN: 131180-23-9
InChIKey: KMYRSVHYVJFQFE-FSRKLETHSA-N

Molecular Formula

  • C33-H54-O7

Molecular Weight

  • 562.783
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 131180-23-9

System Generated Number

  • 0131180239

Structure Descriptors

InChI

1S/C33H54O7/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/h20,25-26,29-30,34,37H,4-19,21-23H2,1-3H3/t25-,26-,29-,30-,31-,32-,33?/m1/s1

InChIKey

KMYRSVHYVJFQFE-FSRKLETHSA-N

Smiles

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