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Substance Name: Trichothecolone palmitate
RN: 100667-47-8
UNII: 1R3CQO7CKO
InChIKey: ALAKXPPBGLXDKP-WDBJJVJHSA-N

Molecular Formula

  • C31-H50-O5

Molecular Weight

  • 502.731
 
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Names and Synonyms

Name of Substance

  • Trichothecolone palmitate

Synonyms

  • Trichothec-9-en-8-one, 12,13-epoxy-4-((1-oxohexadecyl)oxy)-, (4beta)-
  • Trichothecolone palmitate
  • UNII-1R3CQO7CKO

Registry Numbers

CAS Registry Number

  • 100667-47-8

FDA UNII

  • 1R3CQO7CKO

System Generated Number

  • 0100667478

Structure Descriptors

InChI

1S/C31H50O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28(33)36-26-20-27-31(22-34-31)30(26,4)29(3)21-24(32)23(2)19-25(29)35-27/h19,25-27H,5-18,20-22H2,1-4H3/t25-,26-,27-,29+,30-,31?/m1/s1

InChIKey

ALAKXPPBGLXDKP-WDBJJVJHSA-N

Smiles

CCCCCCCCCCCCCCCC(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)C(=O)C[C@]3(C)[C@]1(C)C24CO4