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Substance Name: Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(E(2E,4Z)))-
RN: 84303-92-4
InChIKey: TYGIYQKSSCBSKC-YDOSRKNKSA-N

Molecular Formula

  • C27-H34-O9

Molecular Weight

  • 502.557
 
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Names and Synonyms

  • Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(E(2E,4Z)))-

Registry Numbers

CAS Registry Number

  • 84303-92-4

System Generated Number

  • 0084303924

Structure Descriptors

InChI

1S/C27H34O9/c1-17-8-10-26(20(12-17)36-21-14-19(28)25(26,3)27(21)16-35-27)15-34-24(32)13-18(2)9-11-33-23(31)7-5-4-6-22(29)30/h4-7,12-13,19-21,28H,8-11,14-16H2,1-3H3,(H,29,30)/b6-4+,7-5+,18-13+

InChIKey

TYGIYQKSSCBSKC-YDOSRKNKSA-N

Smiles

C1[C@@H](O)[C@@]2(C)[C@@]3(COC(\C=C(/C)CCOC(\C=C\C=C\C(O)=O)=O)=O)CCC(C)=C[C@@H]3O[C@@H]1[C@@]12CO1