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Substance Name: Bruceanol G
RN: 168301-20-0
InChIKey: LNFLSPAGUXRAML-GLQLFLDVSA-N

Note

  • Isolated from Brucea antidysenterica.

Molecular Formula

  • C30-H40-O13

Molecular Weight

  • 608.633
 
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Names and Synonyms

Name of Substance

  • Bruceanol G

Synonym

  • Methyl (1beta,11beta,12alpha,15beta(E))-15-((4-(acetyloxy)-3,4-dimethyl-1-oxo-2-pentenyl)oxy)-13,20-epoxy-1,11,12-trihydroxy-2,16-dioxopicrasan-21-oate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 168301-20-0

System Generated Number

  • 0168301200

Structure Descriptors

InChI

1S/C30H40O13/c1-12-8-16(32)23(35)28(6)15(12)10-17-29-11-40-30(26(38)39-7,24(36)19(34)21(28)29)22(29)20(25(37)41-17)42-18(33)9-13(2)27(4,5)43-14(3)31/h9,12,15,17,19-24,34-36H,8,10-11H2,1-7H3/b13-9+/t12-,15+,17-,19-,20-,21-,22-,23-,24+,28+,29-,30+/m1/s1

InChIKey

LNFLSPAGUXRAML-GLQLFLDVSA-N

Smiles

O=C([C@]12[C@H]3[C@@]4([C@H]([C@H]([C@@H]1O)O)[C@@]1([C@@H](C[C@H]4OC(=O)[C@@H]3OC(=O)\C=C(/C)C(C)(OC(C)=O)C)[C@@H](CC([C@H]1O)=O)C)C)CO2)OC