Terminology Service for NFDI4Health
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caesalpinin D

Go to external page http://purl.obolibrary.org/obo/CHEBI_65540

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

Term info

Label

caesalpinin D

Synonyms
  • (3bS,5aR,6S,6aR,10S,10aS,10bS,10cR)-6a-hydroxy-7,7,10a-trimethyl-4-oxo-3b,5a,6,6a,7,8,9,10,10a,10b,10c,11-dodecahydro-4H-phenanthro[3,2-b:10,1-b'c']difuran-6,10-diyl diacetate
database cross reference
Subsets

3_STAR

IUPAC NAME
(3bS,5aR,6S,6aR,10S,10aS,10bS,10cR)-6a-hydroxy-7,7,10a-trimethyl-4-oxo-3b,5a,6,6a,7,8,9,10,10a,10b,10c,11-dodecahydro-4H-phenanthro[3,2-b:10,1-b'c']difuran-6,10-diyl diacetate [ IUPAC ]

charge

0

formula

C24H30O8

has obo namespace

chebi_ontology

id

CHEBI:65540

inchi

InChI=1S/C24H30O8/c1-11(25)30-16-6-8-22(3,4)24(28)20(31-12(2)26)19-18-14(23(16,24)5)10-15-13(7-9-29-15)17(18)21(27)32-19/h7,9,14,16-20,28H,6,8,10H2,1-5H3/t14-,16-,17+,18+,19+,20-,23-,24+/m0/s1

inchikey

QAYOIGPJKWWLOT-WXRFRXGMSA-N

mass

446.49020

monoisotopicmass

446.19407

smiles

[H][C@@]12OC(=O)[C@]3([H])c4ccoc4C[C@@]([H])([C@@]13[H])[C@@]1(C)[C@H](CCC(C)(C)[C@]1(O)[C@H]2OC(C)=O)OC(C)=O