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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,4E)))-
RN: 89015-91-8
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,4E)))-

Registry Numbers

CAS Registry Number

  • 89015-91-8

System Generated Number

  • 0089015918

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

C1O[C@@]21[C@@]1(C)[C@@]3([C@@H](O[C@@H]2C[C@@H]1O)C=C(CC3)C)COC(\C=C(\CCOC(\C=C\C=C\C(O)=O)=O)C)=O