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Substance Name: Poaefusarin
RN: 39284-87-2
InChIKey: AXQVDJJOWPBMKM-XPPQAKCPSA-N

Note

  • Metabolite of fusarium thought to be the cause of septic angina in USSR.

Molecular Formula

  • C29-H36-O9

Molecular Weight

  • 528.5944
 
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Names and Synonyms

Name of Substance

  • Poaefusarin

Systematic Name

  • Bufa-5,7,20,22-tetraenolide, 14-hydroxy-19-oxo-3-(xylosyloxy)-

Registry Numbers

CAS Registry Number

  • 39284-87-2

System Generated Number

  • 0039284872

Structure Descriptors

InChI

1S/C29H36O9/c1-27-9-7-20-21(29(27,35)11-8-19(27)16-2-5-23(32)36-13-16)4-3-17-12-18(6-10-28(17,20)15-30)38-26-25(34)24(33)22(31)14-37-26/h2-5,13,15,18-20,22,24-26,31,33-35H,6-12,14H2,1H3/t18-,19+,20+,22+,24+,25-,26-,27+,28+,29-/m0/s1

InChIKey

AXQVDJJOWPBMKM-XPPQAKCPSA-N

Smiles

C[C@]12CC[C@@H]3C(=CC=C4C[C@H](CC[C@]34C=O)O[C@@H]5OC[C@@H](O)[C@@H](O)[C@@H]5O)[C@@]1(O)CC[C@@H]2C6=COC(=O)C=C6