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Substance Name: Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 4-(5-methoxy-3-methyl-5-oxo-3-pentenyl 2,4-hexadienoate) 15-(4-oxopentanoate), (4beta(2Z,4E,6(E)))-
RN: 89015-88-3
InChIKey: ACXBCAMSLBNQCI-MQJLBQJISA-N

Molecular Formula

  • C33-H42-O11

Molecular Weight

  • 614.684
 
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Names and Synonyms

  • Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 4-(5-methoxy-3-methyl-5-oxo-3-pentenyl 2,4-hexadienoate) 15-(4-oxopentanoate), (4beta(2Z,4E,6(E)))-

Registry Numbers

CAS Registry Number

  • 89015-88-3

System Generated Number

  • 0089015883

Structure Descriptors

InChI

1S/C33H42O11/c1-21-12-14-32(19-41-28(36)11-10-23(3)34)25(16-21)43-26-18-24(31(32,4)33(26)20-42-33)44-29(37)9-7-6-8-27(35)40-15-13-22(2)17-30(38)39-5/h6-9,16-17,24-26H,10-15,18-20H2,1-5H3/b8-6+,9-7+,22-17+

InChIKey

ACXBCAMSLBNQCI-MQJLBQJISA-N

Smiles

C1[C@@]2(O1)[C@@]1([C@@]3(CCC(=C[C@@H]3O[C@@H]2C[C@@H]1OC(\C=C\C=C\C(OCC\C(=C\C(=O)OC)C)=O)=O)C)COC(=O)CCC(C)=O)C