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15-O-acetylbruceolide

Go to external page http://purl.obolibrary.org/obo/CHEBI_65530

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

Term info

Label

15-O-acetylbruceolide

database cross reference
Subsets

3_STAR

charge

0

formula

C23H28O11

has obo namespace

chebi_ontology

id

CHEBI:65530

inchi

InChI=1S/C23H28O11/c1-8-10-5-12-22-7-32-23(20(30)31-4,17(22)15(19(29)34-12)33-9(2)24)18(28)14(27)16(22)21(10,3)6-11(25)13(8)26/h10,12,14-18,26-28H,5-7H2,1-4H3/t10-,12+,14+,15+,16+,17+,18-,21-,22+,23+/m0/s1

inchikey

YDWODLQEUPYKGJ-MUVFDYEFSA-N

mass

480.46180

monoisotopicmass

480.16316

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(O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O