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simalikalactone D

Go to external page http://purl.obolibrary.org/obo/CHEBI_66486

A quassinoid isolated from Quassia amara and Quassia africana. It has been shown to exhibit antimalarial, cytotoxic and antiviral activities.

Term info

Label

simalikalactone D

Synonyms
  • (1beta,11beta,12alpha,15betab)-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-15-yl (2R)-2-methylbutanoate
database cross reference
Subsets

3_STAR

IUPAC NAME
(1beta,11beta,12alpha,15betab)-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-15-yl (2R)-2-methylbutanoate [ IUPAC ]

charge

0

formula

C25H34O9

has obo namespace

chebi_ontology

has related synonym

(+)-simalikalactone

id

CHEBI:66486

inchi

InChI=1S/C25H34O9/c1-6-10(2)21(30)34-16-18-24(5)20(29)15(27)17-23(4)12(11(3)7-13(26)19(23)28)8-14(33-22(16)31)25(17,18)9-32-24/h7,10,12,14-20,27-29H,6,8-9H2,1-5H3/t10-,12+,14-,15-,16-,17-,18+,19-,20+,23+,24-,25-/m1/s1

inchikey

OKIKYYZNNZCZRX-ZPUVFWQWSA-N

mass

478.53210

monoisotopicmass

478.22028

smiles

[H][C@@]12C[C@@]3([H])C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@]4(C)OC[C@@]13[C@@]4([H])[C@@H](OC(=O)[C@H](C)CC)C(=O)O2