Terminology Service for NFDI4Health
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norcaesalpinin D

Go to external page http://purl.obolibrary.org/obo/CHEBI_65544

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

Term info

Label

norcaesalpinin D

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

3_STAR

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

charge

0

formula

C25H32O9

has obo namespace

chebi_ontology

id

CHEBI:65544

inchi

InChI=1S/C25H32O9/c1-12(26)32-20-21(33-13(2)27)23(4,5)25(30)9-7-15-17(24(25,6)22(20)34-14(3)28)11-18-16(19(15)29)8-10-31-18/h8,10,15,17,20-22,30H,7,9,11H2,1-6H3/t15-,17+,20+,21-,22+,24+,25-/m1/s1

inchikey

SJZIFWGVHGVKAH-AVZLBZSXSA-N

mass

476.51620

monoisotopicmass

476.20463

smiles

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