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Substance Name: 8-Pentanoylneosolaniol
RN: 116163-74-7
InChIKey: QXHICULSTMOREA-GOLADLMOSA-N

Note

  • Isolated from corn grits cultured with Fusarium sporotrichioides.

Molecular Formula

  • C24-H34-O9

Molecular Weight

  • 466.5236
 
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Names and Synonyms

Name of Substance

  • 8-Pentanoylneosolaniol

Synonym

  • 8-n-Pentanoylneosolaniol

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 116163-74-7

System Generated Number

  • 0116163747

Structure Descriptors

InChI

1S/C24H34O9/c1-6-7-8-18(27)32-16-10-23(11-29-14(3)25)17(9-13(16)2)33-21-19(28)20(31-15(4)26)22(23,5)24(21)12-30-24/h9,16-17,19-21,28H,6-8,10-12H2,1-5H3/t16-,17+,19+,20+,21+,22+,23+,24?/m0/s1

InChIKey

QXHICULSTMOREA-GOLADLMOSA-N

Smiles

CCCCC(=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