Terminology Service for NFDI4Health
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caesalpinin F

Go to external page http://purl.obolibrary.org/obo/CHEBI_65541

A tetracyclic diterpenoid isolated from the seed kernels of Caesalpinia crista that has been found to exhibit antimalarial activity.

Term info

Label

caesalpinin F

Synonyms
  • methyl (4aR,5S,6aR,7S,11aS,11bR)-5-(acetyloxy)-4a-hydroxy-4,4,11b-trimethyl-1-oxo-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-7-carboxylate
database cross reference
Subsets

3_STAR

IUPAC NAME
methyl (4aR,5S,6aR,7S,11aS,11bR)-5-(acetyloxy)-4a-hydroxy-4,4,11b-trimethyl-1-oxo-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-7-carboxylate [ IUPAC ]

charge

0

formula

C23H30O7

has obo namespace

chebi_ontology

id

CHEBI:65541

inchi

InChI=1S/C23H30O7/c1-12(24)30-18-10-14-15(11-16-13(7-9-29-16)19(14)20(26)28-5)22(4)17(25)6-8-21(2,3)23(18,22)27/h7,9,14-15,18-19,27H,6,8,10-11H2,1-5H3/t14-,15+,18+,19-,22+,23-/m1/s1

inchikey

FGVVZVPAVGZHMX-SHLUOHGRSA-N

mass

418.48010

monoisotopicmass

418.19915

smiles

[H][C@@]12C[C@H](OC(C)=O)[C@@]3(O)C(C)(C)CCC(=O)[C@]3(C)[C@@]1([H])Cc1occc1[C@H]2C(=O)OC