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Substance Name: Bruceanol F
RN: 101910-72-9
InChIKey: PCKQDAAUYVCTJJ-XYGKKIDYSA-N

Note

  • Isolated from Brucea antidysenterica.

Molecular Weight

  • 548.581
 
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Names and Synonyms

Name of Substance

  • Bruceanol F

Systematic Name

  • Picras-2-en-21-oic acid, 15-((3,4-dimethyl-1-oxo-2-pentenyl)oxy)-13,20-epoxy-2,11,12-trihydroxy-1,16-dioxo-, methyl ester, (11beta,12alpha,15beta(E))-

Registry Numbers

CAS Registry Number

  • 101910-72-9

System Generated Number

  • 0101910729

Structure Descriptors

InChI

1S/C28H36O11/c1-11(2)12(3)8-17(30)39-19-21-27-10-37-28(21,25(35)36-6)23(33)18(31)20(27)26(5)14(9-16(27)38-24(19)34)13(4)7-15(29)22(26)32/h7-8,11,13-14,16,18-21,23,29,31,33H,9-10H2,1-6H3/b12-8+/t13-,14+,16-,18-,19-,20-,21-,23+,26+,27-,28+/m1/s1

InChIKey

PCKQDAAUYVCTJJ-XYGKKIDYSA-N

Smiles

C1(=C[C@@H](C)[C@H]2[C@@]([C@H]3[C@H]([C@@H]([C@@]4([C@H]5[C@]3(CO4)[C@@H](OC([C@@H]5OC(\C=C(\C(C)C)C)=O)=O)C2)C(OC)=O)O)O)(C)C1=O)O