Terminology Service for NFDI4Health
JSON

3,15-di-O-propionylbruceolide

Go to external page http://purl.obolibrary.org/obo/CHEBI_65533

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

Term info

Label

3,15-di-O-propionylbruceolide

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

3_STAR

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

charge

0

formula

C27H34O12

has obo namespace

chebi_ontology

id

CHEBI:65533

inchi

InChI=1S/C27H34O12/c1-6-15(29)38-18-11(3)12-8-14-26-10-36-27(24(34)35-5,21(26)19(23(33)37-14)39-16(30)7-2)22(32)17(31)20(26)25(12,4)9-13(18)28/h12,14,17,19-22,31-32H,6-10H2,1-5H3/t12-,14+,17+,19+,20+,21+,22-,25-,26+,27+/m0/s1

inchikey

UBTDOTATRXDQMG-LBRZTRGYSA-N

mass

550.55170

monoisotopicmass

550.20503

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(OC(=O)CC)=C(C)[C@@H]2C[C@H]4OC1=O)C(=O)OC