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15-O-propionylbruceolide

Go to external page http://purl.obolibrary.org/obo/CHEBI_65531

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

Term info

Label

15-O-propionylbruceolide

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

3_STAR

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

charge

0

formula

C24H30O11

has obo namespace

chebi_ontology

id

CHEBI:65531

inchi

InChI=1S/C24H30O11/c1-5-13(26)35-16-18-23-8-33-24(18,21(31)32-4)19(29)15(28)17(23)22(3)7-11(25)14(27)9(2)10(22)6-12(23)34-20(16)30/h10,12,15-19,27-29H,5-8H2,1-4H3/t10-,12+,15+,16+,17+,18+,19-,22-,23+,24+/m0/s1

inchikey

JMNCUIIGFZOUJI-URHSRZJXSA-N

mass

494.48840

monoisotopicmass

494.17881

smiles

CCC(=O)O[C@@H]1[C@@H]2[C@@]34CO[C@]2([C@@H](O)[C@H](O)[C@@H]3[C@@]2(C)CC(=O)C(O)=C(C)[C@@H]2C[C@H]4OC1=O)C(=O)OC