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norcaesalpinin E

Go to external page http://purl.obolibrary.org/obo/CHEBI_65545

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

Term info

Label

norcaesalpinin E

Synonyms
  • (1S,4aR,6S,6aS,11aS,11bS)-4a,6-dihydroxy-4,4,11b-trimethyl-7-oxo-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-1-yl acetate
database cross reference
Subsets

3_STAR

IUPAC NAME
(1S,4aR,6S,6aS,11aS,11bS)-4a,6-dihydroxy-4,4,11b-trimethyl-7-oxo-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-1-yl acetate [ IUPAC ]

charge

0

formula

C21H28O6

has obo namespace

chebi_ontology

id

CHEBI:65545

inchi

InChI=1S/C21H28O6/c1-11(22)27-16-5-7-19(2,3)21(25)10-14(23)17-13(20(16,21)4)9-15-12(18(17)24)6-8-26-15/h6,8,13-14,16-17,23,25H,5,7,9-10H2,1-4H3/t13-,14-,16-,17-,20-,21+/m0/s1

inchikey

IBALQPBIWZLHPR-SJEMMDPOSA-N

mass

376.44340

monoisotopicmass

376.18859

smiles

[H][C@]12Cc3occc3C(=O)[C@]1([H])[C@@H](O)C[C@@]1(O)C(C)(C)CC[C@H](OC(C)=O)[C@]21C