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3,15-di-O-acetylbruceolide

Go to external page http://purl.obolibrary.org/obo/CHEBI_65532

A quassinoid that is the 3,15-di-O-acetyl derivative of bruceolide. It has been isolated from Brucea javanica and Brucea sumatrana.

Term info

Label

3,15-di-O-acetylbruceolide

Synonyms
  • methyl (11beta,12alpha,15beta)-3,15-bis(acetyloxy)-11,12-dihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate
Subsets

3_STAR

IUPAC NAME
methyl (11beta,12alpha,15beta)-3,15-bis(acetyloxy)-11,12-dihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate [ IUPAC ]

charge

0

formula

C25H30O12

has obo namespace

chebi_ontology

id

CHEBI:65532

inchi

InChI=1S/C25H30O12/c1-9-12-6-14-24-8-34-25(22(32)33-5,19(24)17(21(31)37-14)36-11(3)27)20(30)15(29)18(24)23(12,4)7-13(28)16(9)35-10(2)26/h12,14-15,17-20,29-30H,6-8H2,1-5H3/t12-,14+,15+,17+,18+,19+,20-,23-,24+,25+/m0/s1

inchikey

ZDBJNNBVIRSCJN-LFVFYYESSA-N

mass

522.49850

monoisotopicmass

522.17373

smiles

COC(=O)[C@@]12OC[C@@]34[C@H]1[C@@H](OC(C)=O)C(=O)O[C@@H]3C[C@H]1C(C)=C(OC(C)=O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O