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Substance Name: 8-Hexanoylneosolaniol
RN: 118143-01-4
InChIKey: NTQOBLPQKXJXCZ-BFAIXHJHSA-N

Note

  • Isolated from corn grits cultured with Fusarium sporotrichioides.

Molecular Formula

  • C25-H36-O9

Molecular Weight

  • 480.5504
 
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Names and Synonyms

Name of Substance

  • 8-Hexanoylneosolaniol

Synonym

  • 8-n-Hexanoylneosolaniol

Systematic Name

  • Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-hexanoate, (3alpha,4beta,8alpha)-

Registry Numbers

CAS Registry Number

  • 118143-01-4

System Generated Number

  • 0118143014

Structure Descriptors

InChI

1S/C25H36O9/c1-6-7-8-9-19(28)33-17-11-24(12-30-15(3)26)18(10-14(17)2)34-22-20(29)21(32-16(4)27)23(24,5)25(22)13-31-25/h10,17-18,20-22,29H,6-9,11-13H2,1-5H3/t17-,18+,20+,21+,22+,23+,24+,25?/m0/s1

InChIKey

NTQOBLPQKXJXCZ-BFAIXHJHSA-N

Smiles

CCCCCC(=O)O[C@H]1C[C@]2([C@@H](C=C1C)O[C@@H]3[C@@H]([C@H]([C@]2(C34CO4)C)OC(=O)C)O)COC(=O)C