Terminology Service for NFDI4Health
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caesalpinin C

Go to external page http://purl.obolibrary.org/obo/CHEBI_65539

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

Term info

Label

caesalpinin C

Synonyms
  • (1S,3R,4aR,6aR,11aS,11bS)-4a-hydroxy-4,4,11b-trimethyl-7-methylidene-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-1,3-diyl diacetate
database cross reference
Subsets

3_STAR

IUPAC NAME
(1S,3R,4aR,6aR,11aS,11bS)-4a-hydroxy-4,4,11b-trimethyl-7-methylidene-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-1,3-diyl diacetate [ IUPAC ]

charge

0

formula

C24H32O6

has obo namespace

chebi_ontology

id

CHEBI:65539

inchi

InChI=1S/C24H32O6/c1-13-16-7-9-24(27)22(4,5)20(29-14(2)25)12-21(30-15(3)26)23(24,6)18(16)11-19-17(13)8-10-28-19/h8,10,16,18,20-21,27H,1,7,9,11-12H2,2-6H3/t16-,18-,20+,21-,23-,24+/m0/s1

inchikey

MYVHVFGKOZGBLW-RAMHWAOYSA-N

mass

416.50730

monoisotopicmass

416.21989

smiles

[H][C@@]12CC[C@@]3(O)C(C)(C)[C@@H](C[C@H](OC(C)=O)[C@]3(C)[C@@]1([H])Cc1occc1C2=C)OC(C)=O