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Substance Name: Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((6-ethoxy-1,6-dioxo-2,4-hexadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(2E,5(2E,4E)))-
RN: 88969-00-0
InChIKey: RDMBZFFJNHSMNB-XJZRKGKLSA-N

Molecular Weight

  • 530.61
 
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Names and Synonyms

  • Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((6-ethoxy-1,6-dioxo-2,4-hexadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(2E,5(2E,4E)))-

Registry Numbers

CAS Registry Number

  • 88969-00-0

System Generated Number

  • 0088969000

Structure Descriptors

InChI

1S/C29H38O9/c1-5-34-24(31)8-6-7-9-25(32)35-13-11-20(3)15-26(33)36-17-28-12-10-19(2)14-22(28)38-23-16-21(30)27(28,4)29(23)18-37-29/h6-9,14-15,21-23,30H,5,10-13,16-18H2,1-4H3/b8-6+,9-7+,20-15+

InChIKey

RDMBZFFJNHSMNB-XJZRKGKLSA-N

Smiles

C(\C=C\C=C\C(OCC\C(C)=C\C(OC[C@@]12CCC(=C[C@@H]1O[C@@H]1[C@@]3([C@@]2([C@@H](C1)O)C)CO3)C)=O)=O)(=O)OCC